CHEMCAD 6 User Guide 2012 PDF

CHEMCAD Version 6
User Guide
Allmaterial2012Chemstations,Inc.
CHEMCAD Version 6 User Guide
Table of Contents
Chapter1IntroductiontoCHEMCAD .............................................................................................. 1 OverviewofCHEMCADandItsUses ................................................................................................ 1 CHEMCADProductsandFeatures ................................................................................................. 3

CC-STEADY STATE .......................................................................................................................................3 CC-DYNAMICS ...............................................................................................................................................3 CC-BATCH .......................................................................................................................................................3 CC-THERM.......................................................................................................................................................3 CC-SAFETY NET.............................................................................................................................................3 CC-FLASH........................................................................................................................................................3
CHEMCADFeaturesbyModule...................................................................................................... 4 UnitOpsbyModule............................................................................................................................ 5 Chapter2GettingStartedwithCHEMCAD..................................................................................... 7 InstallingtheSoftware ........................................................................................................................... 7 LicensingCHEMCAD ......................................................................................................................... 10 TypesofCHEMCADLicenses........................................................................................................ 10 LicenseSettings ................................................................................................................................. 11 UpdatingaLicense ........................................................................................................................... 13 GettingHelpwithCHEMCAD .......................................................................................................... 15 OnlineHelp ....................................................................................................................................... 15 CHEMCADCoach............................................................................................................................ 15 ProcedureDemos.............................................................................................................................. 16 TheChemstationsWebSite............................................................................................................. 16
CHEMCADVersion6UserGuide
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ContactingChemstationsTechnicalSupport ............................................................................... 16 Chapter3TheCHEMCADInterface................................................................................................ 17 TheCHEMCADWindow ................................................................................................................... 17 TheWorkspace.................................................................................................................................. 18 TheCHEMCADExplorerPane ...................................................................................................... 18

The Recent Files Tab .......................................................................................................................................19 The Simulation Tab .........................................................................................................................................19 The Visual Basic Tab.......................................................................................................................................20
ThePalettePane ................................................................................................................................ 20
Selecting a Palette............................................................................................................................................20 Customizing Palettes .......................................................................................................................................21
TheMessagesPane ........................................................................................................................... 22
The Errors and Warnings Tab..........................................................................................................................22 The Run Trace Tab ..........................................................................................................................................22 The Notes Tab .................................................................................................................................................23
TheMainMenu................................................................................................................................. 23 TheToolbar........................................................................................................................................ 23 CustomizingtheCHEMCADScreen................................................................................................. 24 ViewingandHidingScreenElements ........................................................................................... 24 ResizingandMovingItems............................................................................................................. 24

Resizing a Pane................................................................................................................................................24 Moving a Pane .................................................................................................................................................25
PinningandUnpinningPanes........................................................................................................ 25 OtherUsefulInterfaceHints............................................................................................................... 26 UndoandRedo ................................................................................................................................. 26 VisibleGrid........................................................................................................................................ 27 AdjustingYourViewoftheWorkspace........................................................................................ 27 TheCHEMCADCoachPane .......................................................................................................... 27 Chapter4WorkingwithSimulationFiles ...................................................................................... 29 AboutCHEMCADSimulationFiles.................................................................................................. 29 UserComponentsinCHEMCAD .................................................................................................. 30 ExampleFiles..................................................................................................................................... 30 OpeninganExistingSimulation ........................................................................................................ 31 CreatingaNewSimulation................................................................................................................. 31 SavingaSimulation.............................................................................................................................. 32 SavingDifferentCasesfortheSameSimulation.......................................................................... 32 EmailingaSimulation ........................................................................................................................ 33
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WorkingwithCHEMCADFilesfromPreviousVersions .............................................................. 34 Chapter5BuildingandUsingaBasicSimulation......................................................................... 35 StartingaNewSimulation .................................................................................................................. 35 SelectingEngineeringUnits................................................................................................................ 36 DrawingtheFlowsheet........................................................................................................................ 36 AddingUnitOps ............................................................................................................................... 36

Selecting a Default Icon for a UnitOp .............................................................................................................37 Manipulating UnitOp Icons .............................................................................................................................38 UnitOp ID Numbers ........................................................................................................................................38
DrawingandConnectingaStream ................................................................................................ 39
Choosing a Stream Route ................................................................................................................................39 Rerouting a Stream ..........................................................................................................................................40 Stream ID Numbers .........................................................................................................................................40
OtherDrawingTools........................................................................................................................ 41
The Text Tool ..................................................................................................................................................41 Simple Drawing Tools: Rectangle, Ellipse, and Line ......................................................................................41 Complex Drawing Tools: Multi-line and Polygon ..........................................................................................41
SelectingChemicalComponents........................................................................................................ 42 FindingaComponent ...................................................................................................................... 43 AddingaComponent....................................................................................................................... 44 ChangingtheOrderofSelectedComponents .............................................................................. 45 RemovingItemsfromtheSelectedComponentsList ................................................................. 45 SelectingKvalueandEnthalpyOptions .......................................................................................... 46 UsingtheThermodynamicsWizard .............................................................................................. 46
Selecting Components to Ignore......................................................................................................................46 Specifying Process Conditions ........................................................................................................................46 How the Thermodynamics Wizard Makes Suggestions ..................................................................................46 Should the Thermodynamics Wizard be trusted to make design decisions? ...................................................47
ManuallySelectingThermodynamicsSettings ............................................................................ 47 DefiningStreams .................................................................................................................................. 48 ThermodynamicProperties............................................................................................................. 48 StreamComposition ......................................................................................................................... 49 TotalFlowProperties ....................................................................................................................... 49 SpecifyingEquipmentParameters..................................................................................................... 49 RunningtheSimulation....................................................................................................................... 50 ReviewingtheResults.......................................................................................................................... 51 Chapter6UsingCHEMCADforHighfidelityModeling ........................................................... 53 Whatishighfidelitymodeling?......................................................................................................... 53
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CriteriaforHighfidelityModeling ................................................................................................... 54 IntroductiontoEquipmentSizing ..................................................................................................... 54 HighfidelityModelingandSizingforCommonUnitOps ............................................................ 55 Piping.................................................................................................................................................. 55

Low-fidelity .....................................................................................................................................................55 Sizing...............................................................................................................................................................55 High-fidelity ....................................................................................................................................................56
Pumps,Compressors,andExpanders ........................................................................................... 56
Low-fidelity .....................................................................................................................................................56 High-fidelity ....................................................................................................................................................56
VesselsandTanks............................................................................................................................. 56
Valves ................................................................................................................................................. 57
Columns ............................................................................................................................................. 58
HeatExchangers ............................................................................................................................... 60
ReliefDevices .................................................................................................................................... 61
Low-fidelity .....................................................................................................................................................61 High-fidelity ....................................................................................................................................................62
LicensingConsiderationsforHighfidelityModeling.................................................................... 62 Chapter7BuildingandUsingaDynamicSimulation ................................................................. 63 Whatdowemeanbydynamics? ....................................................................................................... 63 LicensingConsiderations .................................................................................................................... 63 AdditionalInputforDynamicOperation......................................................................................... 64 StrategiesforDynamicSimulations ............................................................................................... 65 SettingUpDynamicOperation .......................................................................................................... 65 SwitchingtoDynamics .................................................................................................................... 65 SettingtheRunTime ........................................................................................................................ 66 SelectingStreamsandUnitOps ...................................................................................................... 68 RunningaDynamicSimulation ......................................................................................................... 69
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RunfromInitialState ....................................................................................................................... 69 RunfromCurrentState.................................................................................................................... 69 RunOneStepataTime ................................................................................................................... 70 OtherDynamicCommands ................................................................................................................ 70 ResettoInitialState .......................................................................................................................... 70 SaveAsInitialState .......................................................................................................................... 71 OutputfromDynamicSimulations ................................................................................................... 71 ReviewingtheFlowsheetSpecifications........................................................................................ 72 PlottingDynamicResults ................................................................................................................ 72 TextbasedDynamicReports .......................................................................................................... 72 Chapter8OutputandReports........................................................................................................... 75 TextReports .......................................................................................................................................... 75 ReportOutputSetup ........................................................................................................................ 75 StreambasedReports....................................................................................................................... 76
Stream Groups .................................................................................................................................................76 Stream Compositions.......................................................................................................................................78 Stream Properties.............................................................................................................................................79 Particle Size Distribution.................................................................................................................................80 Pseudocomponent Curves................................................................................................................................80
UnitOpbasedReports...................................................................................................................... 80
UnitOp Groups ................................................................................................................................................80 Select UnitOps.................................................................................................................................................81 Spec Sheet........................................................................................................................................................82 Distillation .......................................................................................................................................................82
FlowsheetbasedReports ................................................................................................................. 83
Topology..........................................................................................................................................................83 Thermodynamics .............................................................................................................................................83 Mass and Energy Balances ..............................................................................................................................83
DynamicsReports............................................................................................................................. 83
Batch Results ...................................................................................................................................................83 Dynamics .........................................................................................................................................................83
ConsolidatedReportsandtheCHEMCADReportWriter......................................................... 84
Choosing and Ordering Report Sections..........................................................................................................84 Selecting Flowsheet Elements .........................................................................................................................85 Formatting Report Sections .............................................................................................................................85 Naming the Report and Choosing a Destination..............................................................................................86
GraphicalReports................................................................................................................................. 87 ThermophysicalDataGraphs ......................................................................................................... 87

TPXY...............................................................................................................................................................87 Binary LLE ......................................................................................................................................................87
TableofContents Binodal Plot .....................................................................................................................................................87 Binodal/Residue Curves ..................................................................................................................................87 Residue Curves ................................................................................................................................................88 Solid/Liquid Equilibrium.................................................................................................................................88
FlowsheetbasedGraphs.................................................................................................................. 88 UnitOpbasedPlots .......................................................................................................................... 88

Column Profiles ...............................................................................................................................................88 Heat Curves .....................................................................................................................................................88 Plug Flow Reactor Profile ...............................................................................................................................88 Pipe Profile ......................................................................................................................................................88 Controller Convergence...................................................................................................................................89
DynamicPlots ................................................................................................................................... 89 UserspecifiedFile ............................................................................................................................ 89 PrintingCHEMCADReports ............................................................................................................. 89 ProcessFlowDiagrams ....................................................................................................................... 90 FlowsheetDataboxes........................................................................................................................ 90

Stream Boxes...................................................................................................................................................90 UnitOp Boxes ..................................................................................................................................................91 TP Boxes .........................................................................................................................................................91 Excel Range Boxes ..........................................................................................................................................92
UsingtheLayersFeatureforSelectiveViewingandPrinting ................................................... 93
Scenarios for Using Layers..............................................................................................................................93 Creating a New layer .......................................................................................................................................94 Assigning Objects to a Layer...........................................................................................................................95 Hiding and Viewing Layers.............................................................................................................................95 Removing an Object from a Layer ..................................................................................................................96 Deleting an Entire Layer..................................................................................................................................96
PrintingaProcessFlowDiagram ................................................................................................... 96 Chapter9CustomizingCHEMCAD ................................................................................................ 99 FlowsheetTemplates ........................................................................................................................... 99 CreatingaTemplate ....................................................................................................................... 100 ViewingaTemplatesProperties.................................................................................................. 100 ApplyingaTemplate...................................................................................................................... 100 RenamingorDeletingaTemplate................................................................................................ 100 CreatingCustomComponents ......................................................................................................... 101 AddingaSingleComponent......................................................................................................... 101
Creating the Component ................................................................................................................................101 Regressing Data into the Component ............................................................................................................104
PseudocomponentRange .............................................................................................................. 105 ImportingaNeutralFile ................................................................................................................ 106
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CreatingaCustomSymbol ............................................................................................................... 107 CustomizedCostingCalculations.................................................................................................... 109 CreatingCustomUnitOps ................................................................................................................ 109 CreatingaCustomUnitOpDialogBox ....................................................................................... 110 CustomizingThermodynamics ........................................................................................................ 111 CreatingaCustomKvalueorEnthalpyModel......................................................................... 111 CreatingaCustomMixingRule ................................................................................................... 112 VisualBasicApplications(VBA)...................................................................................................... 113 DefiningaReaction,MixingRule,orUnitOp ............................................................................ 113 UsingaVBAdefinedReaction ..................................................................................................... 113 UsingaVBAdefinedMixingRule............................................................................................... 114 UsingaVBAdefinedUnitOp ....................................................................................................... 115 Chapter10DataInterfaces ............................................................................................................... 117 ExcelDataMapping........................................................................................................................... 118 CreatinganExcelDataMap.......................................................................................................... 118 DataMapExecutionRules ............................................................................................................ 121 CreatingExcelUnitOps ..................................................................................................................... 123 SpecificationSheets ............................................................................................................................ 124 UsingCHEMCADasanOPCServer .............................................................................................. 125 OPCApplications ........................................................................................................................... 125 OPCCompliance............................................................................................................................. 125 EnablingCHEMCADasanOPCServer ..................................................................................... 125 ReadingandWritingValuestoCHEMCADUsingOPC ......................................................... 126 OPCServerOperations.................................................................................................................. 126 CHEMCADOPCNamespace ....................................................................................................... 127 COMInterfaces ................................................................................................................................... 128 ConnectingExcelandCHEMCAD:ASimpleCOMInterface ................................................. 128
Using the VBClient Example ........................................................................................................................129 A Peek under the Hood..................................................................................................................................129
Chapter11CHEMCADTutorials ................................................................................................... 131 CCSTEADYSTATETutorial ........................................................................................................... 132 Overview.......................................................................................................................................... 132 StartingaNewSimulation ............................................................................................................ 133 SelectingEngineeringUnits .......................................................................................................... 133 DrawingtheFlowsheet .................................................................................................................. 133
Placing UnitOps.............................................................................................................................................133 Drawing Streams ...........................................................................................................................................136
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TableofContents
SelectingComponents.................................................................................................................... 136 SelectingThermodynamicOptions.............................................................................................. 138 DefiningtheFeedStreams............................................................................................................. 140 EnterUnitOpParameters .............................................................................................................. 142

First Heat Exchanger .....................................................................................................................................142 Second Heat Exchanger.................................................................................................................................143 Flash Drum ....................................................................................................................................................143 Valve..............................................................................................................................................................143 Stabilizer Tower ............................................................................................................................................144
RuntheSimulation ......................................................................................................................... 144 ReviewtheResultsandPrintasNeeded..................................................................................... 144

Checking the Cricondentherm Dewpoint.......................................................................................................144 Checking the Bottoms Stream Purity.............................................................................................................147 Re-running the Simulation.............................................................................................................................148 Producing a Text Report................................................................................................................................149 Generating a Process Flow Diagram..............................................................................................................150
CCTHERMTutorial .......................................................................................................................... 153 OverviewoftheHeatExchangerSizingProcess ....................................................................... 154 IdentifytheTubesideStream....................................................................................................... 154 GeneratetheHeatCurve ............................................................................................................... 155 DefineGeneralSpecifications ....................................................................................................... 156 SetTubeSpecifications................................................................................................................... 157 SetShellSpecifications ................................................................................................................... 157 SetBaffleSpecifications.................................................................................................................. 158
Baffle Spacing ...............................................................................................................................................158 Baffle Cut Percent .........................................................................................................................................158
SetNozzleSpecifications ............................................................................................................... 159 SetClearanceSpecifications .......................................................................................................... 159 SetMaterialSpecifications............................................................................................................. 160 SetMiscellaneousSpecifications................................................................................................... 160 RunSizingCalculations ................................................................................................................. 161 ReviewResultsandCreatePlots .................................................................................................. 161 CCBATCHTutorial .......................................................................................................................... 164 DescriptionoftheProblem............................................................................................................ 164 OverviewoftheBatchDistillationProcess ................................................................................. 165 CreatingaNewSimulation ........................................................................................................... 166 SelectingEngineeringUnits .......................................................................................................... 166 DrawingtheFlowsheet .................................................................................................................. 166
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TableofContents Placing UnitOps.............................................................................................................................................166 Drawing Streams ...........................................................................................................................................167
SelectingComponents.................................................................................................................... 168 SelectingThermodynamicOptions.............................................................................................. 168 SpecifyingPotCharge.................................................................................................................... 170 SpecifyingtheDistillationColumn .............................................................................................. 172 DefiningtheOperatingSteps........................................................................................................ 173
Operating Step 1 ............................................................................................................................................173 Operating Step 2 ............................................................................................................................................174 Operating Step 3 ............................................................................................................................................174 Operating Step 4 ............................................................................................................................................175 Operating Step 5 ............................................................................................................................................175 The Run Time Information Dialog Box.........................................................................................................175
RunningtheSimulation ................................................................................................................. 176 ReviewingandPrintingResults ................................................................................................... 177

Plotting the Results ........................................................................................................................................177 Generating Text Reports................................................................................................................................178 Generating a Full Report ...............................................................................................................................178
PipingTutorial .................................................................................................................................... 180 ControlValveSizingExample ...................................................................................................... 180

Problem Statement.........................................................................................................................................180 Rating Case....................................................................................................................................................181 Flow Rate as a Function of Pressure..............................................................................................................183
SimpleFlowExample..................................................................................................................... 186
Problem Statement.........................................................................................................................................186 Creating the Simulation .................................................................................................................................186 Using Controllers to Simplify the Problem ...................................................................................................188 Calculating NPSHa........................................................................................................................................189
BranchedFlowExample ................................................................................................................ 190

Problem Statement.........................................................................................................................................190 Creating the Simulation .................................................................................................................................190 Running the Simulation .................................................................................................................................193 Selecting a Pump ...........................................................................................................................................193
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TableofContents
Chapter 1
Introduction to CHEMCAD
WelcometoCHEMCADVersion6,apowerfulandeffectivesoftwaretoolfor chemicalprocesssimulation.WhetheryoureaneworexperiencedCHEMCADuser, youllappreciatetheprogramsuserfriendly,featurerichinterface.Creating flowsheetsandrunningsimulationsisfastandeasywithCHEMCAD,andthe programishighlycustomizabletofityourneedsandthewayyouwork. ThismanualwillhelpyougetupandrunningwithCHEMCAD,from installationandlicensingtotutorialsthatwalkyouthroughrealworldexamples.
Overview of CHEMCAD and Its Uses

Todayschemicalprocessingindustry(CPI)facesnumerouschallenges:risingfuel andfeedstockcosts,reducedengineeringstaff,shorterproductlifecycles,increased globalcompetition,andincreasedregulation.ThesechallengesrequirethatCPI companiesseekoutandusethebesttoolstoincreaseproductivityandimprove engineeringdecisions. CHEMCADisapowerfulandflexiblechemicalprocesssimulationenvironment, builtaroundthreekeyvaluesofinnovation,integration,andopenarchitecture. ThesevaluescreateimportantadvantagesforCHEMCADusers: Thelatestchemicalengineeringtechniquesatyourfingertips Allfunctionalityunitedinasinglesoftwareenvironment Seamlessconnectiontothechemicalengineeringcomputingenvironment,with linkstotoolssuchasMSExcelandWordandinterfacessuchasCOM,DCOM, OPC,CAPEOPEN,andXML
IntroductiontoCHEMCAD
CHEMCADcombinesastateoftheartgraphicaluserinterface(GUI),an extensivechemicalcomponentdatabase,alargelibraryofthermodynamicdata,and alibraryofthemostcommonunitoperationstogiveuserstheabilitytoprovide significantandmeasurablereturnsontheirinvestment.Inaddition,theprogramis customizabletoallowcustomchemicals,thermodynamics,unitoperations, calculations,andreportingallingredientsforapowerfuluserexperience. CHEMCADiscapableofmodelingcontinuous,batch,andsemibatchprocesses, anditcansimulatebothsteadystateanddynamicsystems.Thisprogramisused extensivelyaroundtheworldforthedesign,operation,andmaintenanceofchemical processesinawidevarietyofindustries,includingoilandgasexploration, production,andrefining;gasprocessing;commodityandspecialtychemicals; pharmaceuticals;biofuels;andprocessequipmentmanufacturing. Withinalloftheseindustries,chemicalengineersworkeverydaywith CHEMCADtoaddressavarietyofchallenges: Initialdesignofnewprocesses Optimizationordebottleneckingofexistingprocesses Performancemonitoringofprocesses Designandratingofprocessequipmentsuchasvessels,columns,heat exchangers,piping,valves,andinstrumentation Evaluationofsafetyreliefdevices Heatexchangersizing Pressureandflowbalancingofcomplexpipingnetworks Reconciliationofplantdata Economiccomparisonsofprocessalternatives Advancedprocesscontrol(APC),includingmodelpredictivecontrol(MPC), realtimeoptimization(RTO),andoperatortrainingsystems(OTS) Scaleupofprocessesfromlabscaletopilotscale,andfrompilotscaletofull scale Binaryinteractionparameter(BIP)regressionfromprocessorlabdata Batchreactionrateregressionfromprocessorlabdata
Nomatterhowcomplexyourprocess,CHEMCADiscapableofdeliveringthe resultsyouneedtostaycompetitiveinanincreasinglyfastandfluidglobalmarket. Easytolearnandhighlycustomizable,CHEMCADcanputfutureproofsolutions withineasyreachofyourengineeringstaff.
CHEMCAD Products and Features

TheCHEMCADsuiteconsistsofseveralmodulesthatservespecificpurposes. Dependingonyourparticularneeds,youmayhavepurchasedsomeorallofthese modules.ThefollowingarebriefdescriptionsofthevariousCHEMCADmodules andtheirmostcommonuses.
CC-STEADY STATE
ThemainCHEMCADproduct,knownasCCSTEADYSTATE,enablesyouto designnewprocesses,rateexistingprocesses,andoptimizeprocessesinsteadystate.
CC-DYNAMICS
ThemoduleknownasCCDYNAMICSmakesitpossibletodesignandrateexisting processesusingadynamicsimulation.Thismoduleisfullyintegratedwith CHEMCADtomakeswitchingbetweensteadystateanddynamicseasyand intuitive.UsingCCDYNAMICS,youcaneasilysimulateeverythingfromsimple vesselaccumulationtocomplexcontrolsystemsoncolumns.Thismodulealso providestoolsforsimulationofcontinuousstirredtankreactors(CSTRs),including complexreactionrateandpressurecalculation.
CC-BATCH
TheCCBATCHproductenablesyoutodesign,rate,oroptimizeabatchdistillation column.CCBATCHincludesaschedulinginterfacetoallowanoperationstep approachtosimulationofbatchcolumns.
CC-THERM
TheCCTHERMproductletsyoudesignasingleheatexchanger,orvetavendors heatexchangerdesign.Itisalsoidealforcustomerswhowanttorateexisting exchangersinnewservice,ortoperformcalculationsonhypotheticalsituations.CC THERMcansimulateshellandtube,aircooled,plateandframe,anddoublepipe exchangers.FullintegrationwithCHEMCADmakesitpossibletocalculateexit conditionsfromexchangergeometryforhighfidelitysimulations.
CC-SAFETY NET
TheCCSAFETYNETproductprovidesthecapabilitytodesignorratepiping networksandsafetyreliefdevicesandsystems,inbothsteadystateanddynamic systems.ThesteadystatefeaturesofCCSAFETYNETareincludedwithCC STEADYSTATE.Thisproductenablesuserstomakesimultaneousflowand pressurebalancedsimulationseveninreverseflowsituationsforsingleor multiphaseflow.
CC-FLASH
TheCCFLASHmoduleprovidesphysicalpropertyandphaseequilibriumdata,as wellaspropertypredictionandregression.CCFLASHisasubsetofCCSTEADY STATE,andismeantforcustomerswhodonotneedfullflowsheetsimulationtools.
CHEMCADVersion6UserGuide 3
CHEMCAD Features by Module

Thefollowingmatrixliststhefeaturesassociatedwitheachcomponentofthe CHEMCADsuite.Foramoredetailedexplanation,ortoinquireaboutaparticular componentorfeature,pleasecontactChemstationsoryourCHEMCADdistributor (seecompletecontactinformationatwww.chemstations.com/contact.htm).
CC-STEADY STATE CC-SAFETY NET
CC-DYNAMICS
CC-THERM
CC-BATCH
VB/COM/OPC/Data Map Sensitivity/optimization Sizing (line/valve/orifice/vessel) Run steady state Run dynamics Run recycles Costing Reconciliation Sizing columns Sizing heat exchangers Economics Reports (incl. Excel) DIERS CO2 solid Hydrates Depress TOC/COD Pure regression BIP regression Electrolyte regression Rate regression Units calculator Execute parser Environmental report Simple calculator Spec sheet 4

CC-FLASH
UnitOps by Module
Theavailabilityofcertainunitoperations,orUnitOps,inCHEMCADsimulationsis afunctionofwhichmodulesyouhavelicensed.Thefollowingmatrixlistsall availableUnitOpsandtheCHEMCADmodulesassociatedwiththem.
CC-STEADY STATE CC-SAFETY NET
CC-DYNAMICS
CC-THERM
CC-BATCH
Baghouse filter Batch column Batch reactor Calculator Centrifuge Component separator Compressor Control valve Controller Crusher/grinder Crystallizer Cyclone Divider Dynamic vessel Electrostatic precipitator Equilibrium reactor Excel unit Expander Fired heater Flash Gibbs reactor Heat exchanger Hydrocyclone Kinetic reactor Liquid/liquid extractor LLV flash* LNGH exchanger

CC-FLASH 5
CC-STEADY STATE
CC-SAFETY NET
CC-DYNAMICS
CC-THERM
CC-BATCH
Loop Mixer Node Phase generator* PID controller Pipe simulator Polymer reactor Pump Ramp controller Recorder* Run subflowsheet META unit SCDS distillation column Screen Sedimentator Shortcut column Solids dryer Solids washer Stoichiometric reactor Stream reference Tank Time delay Time switch Tower distillation column Tower plus distillation column User-added module Vacuum filter Valve Venturi scrubber Vessel* * These UnitOps will be phased out eventually.

CC-FLASH
Chapter 2
Getting Started with CHEMCAD
NowthatyouhaveCHEMCADinhand,youprobablywanttogetstartedright away.Letsgetdirectlytothepoint,withstepbystepinstructionsforinstallingand licensingtheprogram.
Installing the Software

StartbyensuringthatyourPCmeetstheminimumsystemrequirements,aslisted below.Itsalsoagoodideatofindoutbeforeyoubeginwhetheryourcopyof CHEMCADwillrelyonanetworklicense;ifitwill,makesuretoaskyournetwork administratorforallthe informationthatyoullneed CHEMCAD System Requirements wheninstallationiscomplete Processor speed: 500 MHz or higher anditstimetosetup Operating system: Windows 2000, XP, Vista, 7, 8 licensing.
RAM: 256 MB Video card: 128 MB or higher video memory Display resolution: 1024 x 768 or higher Hard disk space: 500 MB (750 MB during installation) Productivity software: Some features require Microsoft Office
Onceyouveestablished thatyourcomputerisready forinstallation,insertthe CHEMCADinstallationdisc intoanavailableCDmedia driveandwatchforthe CHEMCADsplashscreento appear.
Note: IfyouinsertthediscandclosetheCDmediadrivedoor,butnothinghappens
withinoneminute,thenyoursystemisnotconfiguredtolaunchtheCDcontent automatically.Tolaunchtheinstallationprogrammanually,gotoMyComputer, doubleclicktheiconforyourcomputersCDmediadrive,andthendoubleclickthe filecalledSetup.exe. ClickInstallCHEMCADtolaunchtheInstallShieldWizard.InstallShield inspectsyourcomputerforsoftwarecomponentsthatCHEMCADwillneed,and promptsyoutoinstallanyneededcomponentswithascreensimilartoFigure201.
Figure 2-01: InstallShield Wizard screen listing software components to be installed
ClickInstalltocontinue.Followthepromptsonallotherscreensuntilyousee theCHEMCADSuiteInstallShieldWizardscreen,showninFigure202.
Note:DependingonhowmanysoftwarecomponentsInstallShieldidentifies,there
maybequiteafewscreens,andtheprocedurecouldtakeseveralminutes.Once thesecomponentsareinstalledonyourcomputer,however,youwillnotneedto reinstallthemwithfutureCHEMCADupdates.
Figure 2-02: The CHEMCAD Suite InstallShield Wizard screen
ClickNexttobegintheinstallationprocess.TheLicenseAgreementscreen appears,listingtheCHEMCADstandardlicense.Onceyouvereadandunderstood thetermsofthelicense,youllneedtoclicktheIacceptthetermsinthelicense agreementbuttonbeforeyoucanclickNextagaintoproceed.Notethatyouhavethe optiontoprintacopyofthelicenseagreementfromthisscreen.
Figure 2-03: The Standard License screen
FollowingthestandardCHEMCADlicenseagreement,asimilarscreenappears withthelicensetermsoftheMicrosoftVisualStudiotools.Again,youllneedtoclick theIacceptthetermsinthelicenseagreementbuttonandthenclickNexttoproceed. TheDestinationFolderscreenappearsnext,displayingthenameofthefolder intowhichtheCHEMCADfileswillbeinstalledbydefault.Normally,this destinationisC:\ProgramFiles\Chemstations\CHEMCAD,anditisrecommended thatyouusethislocationunlessyouhaveaspecificneedtoinstalltheprogram elsewhere.ClicktheChangebuttonifyouwanttochangethefiledestination,or clickNexttoacceptthesuggesteddestinationandproceed. TheSetupTypescreennowappears,offeringachoicebetweencompleteand custominstallation.Eachtypeofinstallationisdescribedonthescreen.Eitheraccept thedefaultsettingofCompleteorclickCustomtoselectspecificcomponentsto install,thenclickNexttoproceed. TheReadytoInstalltheProgramscreennowappears.Notethatonthisscreen, andinfactonanyscreenintheinstallationprocess,youcanclickBacktoreturntoa previousscreenandverifyorchangeyourinstallationsettings.Ifyouaresatisfied withyoursettingsastheyare,clickInstalltostarttheinstallation. TheInstallingCHEMCADSuitescreenappears,showingtheprogressofyour installationwithagreenstatusbar.
Figure 2-04: Status bar showing the progress of CHEMCAD installation
Wheninstallationiscomplete,youllseeonefinalscreen,whichstatesthatthe InstallShieldWizardhascompletedinstallationoftheCHEMCADSuite.Ifyou wouldliketostartCHEMCADnow,checktheLaunchCHEMCADSuiteboxbefore clickingFinish.
Licensing CHEMCAD
BeforeyoucanuseCHEMCAD,youllneedtosetupalicensingschemeofsome type.Dependingonyourparticularlicensingagreement,youwilluseoneofseveral typesoflicensestorunCHEMCAD.
Types of CHEMCAD Licenses

ThevarioustypesofCHEMCADlicensesaredesignedtofitdifferentusers software,hardware,andnetworkingneeds.Mostlicensesrequiretheuseofa hardwaredevice,commonlyknownasadongle,toruntheprogram. ThedonglesimplyplugsintoeitheraUSBportoraparallelportonthe computer,andmustbepluggedinanytimetheprogramruns.Ifyouworkona networkwithotherCHEMCADusers,yourlicensemayrelyonadongleplugged intoanetworkserverelsewhereinyourorganization,ratherthanoneplugged directlyintoyourcomputer.
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Youoryourorganizationmayuseoneofthefollowingtypesofdongles: SuperProsingleuserdongle(parallelorUSBconnection) SuperProNetdongle(parallelorUSBconnection)
Insomeinstances,softwarelicensingisaccomplishedwithouttheuseofa hardwaredevice: RMSLicenseManagersoftware,whichrunsoveralocalorwideaccess network SystemAuthorization,amethodthatauthorizesasingleusermachinefor alimitedtime(usedforsoftwareevaluation)
License Settings
TorunCHEMCADforthefirsttime,makesurethatyourdongle(ifapplicable)is pluggedinproperly,andthenstarttheprogram.FromtheWindowsStartmenu, selectAllPrograms>Chemstations>CHEMCAD. Theprogramopens,displayingaCHEMCADsplashscreen.Afterafew moments,thatscreenisreplacedbytheCHEMCADLicenseMonitordialogbox, whichdisplaysinformationaboutthelicense(s)thatyourcomputerisusingtorun CHEMCAD.
Figure 2-05: The CHEMCAD License Monitor dialog box
Note:Insomecases,theCHEMCADscreenthatappearsmaydisplayaNoLicense
Foundmessage,whichindicatesthatCHEMCADhasnotyetdetectedavalidlicense. Ifyourcomputerisexperiencingslowcommunicationwiththelicenseserver system,CHEMCADmaysimplyneedmoretimetodetectthelicense(s).Assoonas anyvalidlicenseisfound,CHEMCADwilldisplaytheCHEMCADLicenseMonitor screen.
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Normally,thisdialogboxremainsinviewforonlyafewseconds,listingall productlicensesthatCHEMCADhasobtained.Duringthattime,youcanclick anywhereinthedialogboxtokeepitopen.Ifyoudonotclickinthedialogbox,it disappearsfromview,butyoucanbringitbackupatanytimebyselectingTools> Options>Licensing. WhiletheCHEMCADLicenseMonitordialogboxisopen,youcanviewthe variousCHEMCADlicensesdetectedforyoursystemandseewhatmethod(and whereapplicable,whichserver)isbeingusedtoobtainthoselicenses.Ifyour organizationusesRMSLicenseManager,youcanalsoseewhichotherusers currentlyholdvariousproductlicenses. Fornetworklicenses,youcanrightclickaservernameunderaparticular productandselectalicensingpreference(ondemand,always,ornever)asshown below.
Figure 2-06: Selecting a licensing preference
Youcanusethealwaysorneversettingtoturnlicensingforaproductabsolutely onoroff,respectively.Theondemandsettingsecuresalicenseonlywhenyoubegin touseaspecificCHEMCADfeaturecontrolledbyacertainproduct.Thissettingis idealinmostsituations,asitleavesunneededlicensesavailableforotherusers. ToclosetheCHEMCADLicenseMonitorscreen,clicktheContinuebutton,or clicktheXinthetoprightcornerofthescreen.
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Updating a License
CHEMCADdonglesrequirereprogrammingonaregularbasis,eitheronceayear ormoreoftendependingonyourlicensingagreement.Thisisasecuritymeasureto reducethelikelihoodthatyourdonglewillbestolenandmisused. Thedonglethatyouuseisprogrammedtoworkonlythroughthelicensedtime period,andwhenthattimehaselapsed,thedonglemustbeupdatedbeforeyoucan continueusingCHEMCAD. Updatingadongleisarelativelysimpleprocedure.Beforeyourlicense expiration,youoryoursoftwareadministratorshouldreceiveanemailfrom Chemstations,withwhatsknownasaconfigurationfileincludedasanattachment. YoushouldsavethisfiletoyourWindowsdesktopassoonasyoureceiveit.
Note:Ifyouveupdatedthesamedongleinthepast,thenewconfigurationfile
shouldhavetheexactsamefilenameasthepreviousone.If,whilesavingthefileto yourdesktop,youseeaWindowsmessageaboutanexistingfilewiththesame name,youshouldoverwritetheoldfile(whichinanycasecannotbeusedagain), replacingitwiththenewone. Itsimportanttoensurethatyourconfigurationfilematchesyourdongle.The configurationfileshouldbea.DNGfilewhosenameincludesafourorfivedigit code;thiscodemustmatchthenumberstampedontoyourdongle.Ifthenumbers dontmatch,contactyoursoftwareadministratororChemstationssupporttoresolve theissue. Theupdateemailalsospecifiesthedateonwhichyoullneedtoupdateyour dongle.Beforethatdatearrives,followthisproceduretoperformtheupdate: 1. StarttheCHEMCADprogramandselectTools>Options>Licensing.This bringsuptheCHEMCADLicenseMonitordialogbox,whichdisplaysthe statusofallapplicableCHEMCADproductlicenses,alongwithyourdongle typeandnumber.
Figure 2-07: The CHEMCAD License Monitor dialog box
13
2. ClicktheSetupbuttontobringuptheLicenseSetupdialogbox,thenclick Updatedongleasshownbelow.
Figure 2-08: Clicking Update dongle within the License Setup dialog box
3. Thedialogboxnowlistsalllicensingdonglesanddisplaysafieldfor enteringthefullpathandfilenameforthedongleupdatefile.Clickthe Browsebuttontonavigatetotheupdatefile.
Figure 2-09: Browsing for the dongle update file
4. IntheOpendialogbox,navigatetothelocationwhereyousavedthe.DNG configurationfile.Normally,thisistheWindowsdesktop;ifyousavedyour configurationfilethere,clickDesktoptotellCHEMCADwheretolookfor thefile,thenclickOpen. 5. TheLicenseSetupdialogboxnowdisplaysthedirectorypathandfilename fortheselected.DNGfile.ClickOKtoupdatethedongle.
Figure 2-10: Updating the dongle with the selected update file
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6. CHEMCADreprogramsthedongle,andthendisplaysapopupwindow statingthattheupdateiscomplete.
Figure 2-11: Successful re-programming of a CHEMCAD dongle
7. ClickOKtoclosethepopupwindow.IftheCHEMCADLicenseMonitor screenappears,clickContinuetocloseit. YoushouldnowbeabletoproceednormallyinCHEMCAD.

Note:ForSuperProNetdonglesonly,youwillneedtostopandrestarttheWindows
servicecalledSentinelProtectionServerafterupdatingthedongle.
Getting Help with CHEMCAD

IfyoufindthatyouhavequestionsthatarenotaddressedinthisUserGuide,you canturntoseveralresourcesforCHEMCADhelp.
Online Help
AtanytimewhilerunningCHEMCADinanactivewindow,youcanpressthe[F1] keytobringuptheCHEMCADHelpscreenthatsmostappropriatetothetaskyou arecurrentlyperformingorthedialogboxcurrentlydisplayed. Insomesituations,pressing[F1]willbringupthemainCHEMCADHelp windowinsteadofaparticularhelpscreen.Fromthere,youcanclicktheContents, Index,orSearchtabintheupperleftcorneroftheCHEMCADHelpwindow,and usethesetoolstofindtheinformationyouneed. YoucanalsogodirectlytothemainCHEMCADHelpwindowbyselectingHelp >HelpTopicsfromtheCHEMCADmainmenu.Regardlessofhowyouopen CHEMCADHelp,italwaysopensinaseparatewindowthatdoesnotinterferewith theoperationoftheCHEMCADprogram.
CHEMCAD Coach
TheCHEMCADCoachpaneisatoolthatyoucanopenwithinCHEMCADtoview conciseinstructionsforcommonprocedures.Toseealistofavailabletopics,select Help>CHEMCADCoach.ThenclickonanylinkintheCHEMCADCoachwindow toviewtheinstructionsforaspecifictask.
15
Procedure Demos
Animateddemonstrationsofcommontasksareavailabletohelpyougetstarted usingtheCHEMCADprogram.ThedemofilesareinstalledalongwithCHEMCAD. Toaccessthesedemos,selectStart>AllPrograms>Chemstations>Demos,and thenbrowsethelistofavailabletopics.Whenyouselectademofromthemenu,it willstartplayingautomatically.
The Chemstations Web Site

TofindthemostrecentupdatesoftheCHEMCADsoftware,manuals,andvarious trainingtools,gotowww.chemstations.com.Thereyoullfindthefollowingitems availablefordownload: ThelatestreleaseofCHEMCAD Alistofupdatesimplementedinthemostrecentrelease CHEMCADdocumentationanddemos ProgrammingguidesforinterfacingwithCHEMCAD
Contacting Chemstations Technical Support

Ifyouareunabletosolveaproblemorfindtheanswertoaquestionusingthis manualortheothertoolslistedhere,youcancontactChemstationstechnical supportstaffforassistance. Ourtechnicalsupportengineers areavailableviaemail,orbyphone MondaythroughFriday,7:00AM through6:00PMCentralStandard Time.
Phone: FAX: E-mail: 713.978.7700 713.978.7727 support@chemstations.com Toll-free (U.S. and Canada): 800.243.6223
OutsideoftheUnitedStates,pleaseseewww.chemstations.comforregional contactinformation.
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Chapter 3
The CHEMCAD Interface
ThischaptertakesyouonatouroftheCHEMCADscreen,includingthemenusand toolbars,themainareasofthescreen,andtheflowsheetdrawingtools.Italsoshows yousomewaysthatyoucancustomizethescreenlayoutsothatitbestsuitsyour ownwayofworking.

Note:WiththereleaseofVersion6.0,theCHEMCADinterfaceunderwentamajor
transformation.Forthisreason,usersupgradingfromCHEMCAD5willbenefit fromareviewoftheprogramsscreenlayoutandthelocationofimportantfeatures.
The CHEMCAD Window

WhenyoulaunchtheCHEMCADprogramforthefirsttime,youllseeascreenwith alargewhiteareainthemiddleandvariouspanes,orspecializedareas,attheedges ofthescreen.
Workspace CHEMCAD Explorer pane Palette pane
Messages pane
TheCHEMCADInterface
The Workspace
Theareainthemiddleofthescreenisknownastheworkspace.Thisisthemainfocus oftheCHEMCADwindow,theplacewhereyoullbuildandeditflowsheets,view graphs,andrunandtweakprocesssimulations. WhenyoufirstlaunchCHEMCAD,theworkspaceissolidwhite.Whenyoustart tobuildaflowsheetoropenanexistingsimulation,theflowsheetdisplaysinthe workspace. Theworkspaceusestabstoenableyoutoswitchbetweenyouropensimulation andanyopenExcelDataMapsand/ordataplots.Atthebottomoftheworkspace area,youllseeoneormoretabswheneverasimulationisopen.Eachtabincludesa buttonmarkedwithanX;tocloseanytab,firstclickthetabandthenclicktheX button.
Figure 3-01: The bottom of the workspace area, showing several tabs and their
buttons
Notethatanytimeyouveclosedasimulationandhaventyetopenedanother one,theworkspacedisplaysasablankgrayspace.
The CHEMCAD Explorer Pane

AlongtheleftedgeoftheCHEMCADwindow,youllseeanareawithatitlebarat thetopthatreadsCHEMCADExplorer.AtthebottomoftheCHEMCADExplorer panearethreetabscalledRecentFiles,Simulation,andVisualBasic.Toviewthe contentsofatab,simplyclickitsname.
Figure 3-02: CHEMCAD Explorer tabs
TheCHEMCADExplorertabsarepresentedinwhatsknownasatreeformat, withitemsorganizedintoamultilevelhierarchy.Thedefaultviewshowsonlytop levelitems,butyoucanexpandeachitemtoviewsecondlevelitems,thirdlevel items,andsoforth. Attheleftofeachtoplevelitemisasmallboxwithaplussign.Toexpandan item,clicktheplussign.Twothingshappensimultaneouslywhenyouclick:thetree expandstoshowthatitemscontents,andtheplussignbecomesaminussign.You canhide(orcollapse)thelowerlevelitemsagainbyclickingtheminussign,which thenturnsbackintoaplussign.Figure303showsanexampleofaCHEMCAD Exploreritemincollapsedandexpandedview.
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TheCHEMCADInterface
Figure 3-03: Clicking the plus sign to expand an item (left); the resulting view (right)
ExpandingandcollapsingitemsintheCHEMCADExplorertabsisonewaythat youcanmakethebestuseofyourscreenspacewhenworkinginCHEMCAD.
The Recent Files Tab

TheRecentFilestabisselectedbydefaultwhenyoufirstlaunchCHEMCAD.This tablistsallofthesimulationfilesthatyouhaveopenedlately,startingwiththemost recent.WhenyoufirstinstallCHEMCAD,thelistisempty,butwithevery simulationthatyouopennewfilesorexistingonessuchasbuiltinexamplesthe listwillgrow,providingconvenientaccesstofilesthatyouusefrequently. ToopenasimulationfromtheRecentFileslist,simplydoubleclickonthefile nameinthelist.
The Simulation Tab

TheSimulationtabdisplaysbydefaultanytimeasimulationisopen.Itprovidesa seriesofshortcutstocommoncommandsandsettings,including: Components:Includesoneclickaccesstocomponent,electrolyte,andsolids selection,aswellasdistillationcurves Thermodynamics:Providesquickaccesstothermodynamicsettingsand transportproperties Flowsheet:AllowsquickeditingofUnitOpandstreamdata SensitivityStudies:Providesaconvenientwaytocreate,edit,andrun sensitivitystudies DataMaps:EnablesyoutocreateorsetexecutionrulesforaDataMap withoutusingthemenu
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TheCHEMCADInterface
SavedCharts:Providesquickaccesstopreviouslysavedchartsforthis simulation Groups:ProvidesaneasywaytocategorizeUnitOps,streams,and components Layers:Allowsselectedpartsoftheflowsheettobedisplayedorhiddenfor viewingandprinting Templates:StoresandorganizesstreamandUnitOpspecificationsthatyou cancloneforreuse
Expandanyoftheseitemstoseeandusespecificfeatures,whicharedescribedin furtherdetailintheappropriatechaptersofthisuserguide.
The Visual Basic Tab

IfyouuseVisualBasictocustomizeCHEMCAD,thistabprovidesquickandeasy accesstoyourVisualBasiccode.YoucanexpandtheReactions,Properties,or UnitOpsitemtoviewavailablesubroutinesforthatcategory.Clickingthenameofa subroutineopensaVisualBasiceditorinaseparatewindow.
The Palette Pane

AlongtherightsideoftheCHEMCADwindowisapanetitledPalette,whichisa repositoryforthevariousunitoperationiconsandothertoolsneededtodraw flowsheets.
Selecting a Palette
TheseUnitOpiconsandtoolsaregroupedintopalettesaccordingtofunctionor equipmenttype.ThedefaultpaletteiscalledAllUnitOps,anditincludesevery availableUnitOpiconanddrawingtool.Toselectadifferentpalette,simplyclickits titlebar.Theselectedpaletteexpandsinplace,asshowninFigure304.
Figure 3-04: The expanded Piping and Flow palette
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TheCHEMCADInterface
Customizing Palettes
AtthetopofthePalettepaneisafieldcalledSearchforUnitOp(s).Typeasearch termhereandthenclickGo!tolocatealloftheUnitOpiconsassociatedwiththat term.TheresultsfromthesearchappearinanewpaletteatthebottomofthePalette pane.Figure305showsthesearchresultsforthewordvessel.
Figure 3-05: Search results showing all vessel UnitOps
PerformingaUnitOpsearchcreateswhatisknownasauseraddedpalette.This typeofpaletteisdesignatedwithaspecialiconattheleftendofthepaletteheading. Thepalettecontainingyoursearchresultsremainsavailableuntilyouclose CHEMCAD.Youcanmakeyouruseraddedpaletteavailablepermanentlybyright clickingthenewpalettestitlebarandselectingSave.
Figure 3-06: Saving search results for future use
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TheCHEMCADInterface
Youcandothefollowingwithuseraddedpalettes: Renameanyuseraddedpalettebyrightclickingitstitlebarandselecting Rename.Intheresultingdialogbox,typethenameyouwantandthenclick OK. Deleteauseraddedpaletteatanytimebyrightclickingandselecting Remove. AddindividualUnitOpsortoolstoanexistinguseraddedpalette.Simply rightclicktheiconfortheitemyouwanttoadd,selectInsertintoPalette, andthenclickthenameoftheuseraddedpalette. Removeanitemfromauseraddedpalettebyrightclickingtheiconand selectingRemovefromPalette. Createauseraddedpalettewithoutasearch.Rightclickthefirsticonthat youdliketoincludeonanewpaletteandselectInsertintoPalette>New Palette.TypeanameintheresultingdialogboxandclickOK.Thenaddas manyothericonsasyoudlikeusingthemethoddescribedjustabove.
Youcannotchangethenameoriconselectionforabuiltinpalette,asyoucan withauseraddedpalette.Youcan,however,makeacopyofabuiltinpalette, renamethecopy,andthenaddanddeleteiconsuntilthepalettehasjustwhatyou want. Tocopyanypalette(whetherbuiltinoruseradded),simplyrightclickthe paletteheadingandselectSaveCopyAs.Typeanameforthenewpaletteandclick OK.
The Messages Pane

TheMessagespaneislocatedatthebottomedgeoftheCHEMCADworkspace.At thebottomofthispanearethreetabs:ErrorsandWarnings,RunTrace,andNotes.
The Errors and Warnings Tab

Thistabdisplaysarunninglistoferrorandwarningmessagesthathavebeen generatedwhilethecurrentsimulationfilehasbeenopen.Theoldestmessages displayatthetopofthelist.Whentherearetoomanycumulativemessagesto displayinthepane,themostrecentmessagesdisplayandtheoldermessagesscroll offthetopedgeofthepane.Ifneeded,youcanusetheverticalscrollbarontheright sideofthepanetoscrollupandreviewearliermessages.
The Run Trace Tab

ThistabdisplaysdiagnosticmessagesfromeachUnitOpeachtimeasimulationis run.Thisinformationishelpfulintroubleshootingasimulationthatisnotworking properly. ThetextontheRunTracetabisnotsavedwiththesimulation,butrefresheswith eachrunandclearswhenyouclosethesimulation.
22 CHEMCADVersion6UserGuide
TheCHEMCADInterface
The Notes Tab

Thistabprovidesahandyplacetostoreadditionalinformation,intextform,about thesimulation.Youcanuseittolistanydetailsaboutthesimulation,suchasits originandanyassumptionsthatarebeingmade. Anynotesthatyouaddorchangearesavedaspartofthesimulation.Todelete textfromanote,simplyclickanddragtoselectthetextandthenpress[DELETE]on yourkeyboard.
The Main Menu

ThemainCHEMCADmenuislocatedjustunderthetitlebaratthetopofthe programwindow.SomeitemsonthemainmenuarecommontonearlyallWindows programsnamelyFile,Edit,Format,andHelpwhileothermenuitemssuchas ThermophysicalandSizingaremorespecifictochemicalprocesssimulation. Touseamenucommand,clicktherelevantmainmenuitemandthenclickthe commandinthedropdownlistthatappears. Toexecutemenucommandswithoutusingthemouse,youcanholddownthe [ALT]keyonyourkeyboardasyoupresstheletterkeythatcorrespondstothe underlinedletterinthedesiredmenuitem,forexample[ALTF]fortheFilemenu. Youcanthenusetheupanddownarrowkeystoselectanitemonthemenuand press[ENTER]toexecutetheselectedcommand.
The Toolbar
TheCHEMCADtoolbarprovidesbuttonsthatarecommontomostWindows applications,suchasNew,Open,Save,andPrint,alongwithbuttonsthatare specifictochemicalprocesssimulation. Todiscovertheuseofaparticularbutton,simplypointyourmousecursoratthe buttonandwatchforthetooltiptoappear,asshowninFigure307.
Figure 3-07: Viewing a buttons tooltip
Toolbarbuttonsprovidequick,oneclickaccesstofrequentlyusedcommands thatarealsoavailableviatheCHEMCADmenus.
23
TheCHEMCADInterface
Customizing the CHEMCAD Screen

WhenyoufirstinstallCHEMCAD,thescreenislaidoutwiththeCHEMCAD Explorerpaneontheleft,thePalettepaneontheright,andtheMessagespanebelow theworkspace. Ifhavingalloftheseitemsvisibleleavesyoulessworkspacethanyouwould prefer,orifthelocationofoneormorepanesislessthanoptimalforthewaythat youwork,youcanhideormovepanestocustomizeyourCHEMCADscreen.
Viewing and Hiding Screen Elements

YoucanvieworhideanyoftheCHEMCADscreenspanes,aswellasgroupsof toolbarbuttons,tomakeoptimaluseofyourscreenspace. Totoggleapaneonoroff,selecttheViewmenuandthenchooseCHEMCAD Explorer,Palette,orMessages.Itemswithacheckmarkarecurrentlydisplayed, whileitemswithnocheckmarkarecurrentlyhidden.Youcanalsochoosetoviewor hidethestatusbaratthebottomoftheCHEMCADwindow. Toselectivelyvieworhidegroupsoftoolbarbuttons,selectView>Toolbars.In theToolbarsdialogbox,eachgroupofbuttonsislistedunderadescriptivename; initially,allofthesegroupshavecheckmarks,indicatingthattheyarecurrently displayed.Tohideanygroupofbuttons,clicktoremovethecheckmarkandthen clickClosetoreturntothemainCHEMCADwindow.
Resizing and Moving Items

Nowthatyouhavedeterminedwhichpanesandtoolbarbuttongroupstodisplay, youcanfurthercustomizeyourCHEMCADwindowtodetermineexactlywhere eachoftheseitemswillappear.
Resizing a Pane
Thesimplestwaytoaltertheappearanceofapaneistoresizeit.Youcanmakethe CHEMCADExplorerandPalettepaneswiderornarrower,ormaketheMessages paneshorterortaller,bymovingtheinsideedge,orwall,ofthepanetowardor awayfromtheedgeofthemainwindow. Toresizeapane,startbypositioningyourmousecursorattheinsidewallofthe panethatis,therightedgeoftheCHEMCADExplorerpane,theleftedgeofthe Palettepane,orthetopedgeoftheMessagespane.Whenthecursorisinthecorrect positionforresizing,thenormalpointerwillbereplacedwithatwoheadedarrow asshowninFigure308.
24
TheCHEMCADInterface
Figure 3-08: The two-headed arrow cursor used for resizing panes
Whenyouseethetwoheadedarrow,clickanddraginthedirectionyouwantto movethepanewall.Athickgraylineshowsapreviewofthenewpanesize;when youreleasethemousebutton,theresizedpaneappears.
Moving a Pane
Inadditiontoresizing,youcanalsomoveanyofthepanesintheCHEMCAD window,eithertoadifferentedgeofthescreenortothemiddleofthescreen.You canalsomovegroupsofbuttonsfromtheirdefaultpositionsonthetoolbar. Initially,allofthepanesandbuttongroupsaredocked,meaningthattheyare snappedintoanedgeofthescreenorthetoolbararea.Whenyouundockanitem, youcanputitinthelocationofyourchoosing,awayfromthescreenedge. Toundockapane,clickanddragthepanestitlebar,thatis,thebluebaratthe topofthepanethatshowsthepanename.Toundockabuttongroup,youllneedto clickanddragtherowoffourdotsrunningalongtheleftedgeoftheleftmostbutton inthegroup.
Note:InthecaseoftheMessagespane,thetitlebarrunsalongtheleftedgeofthe
pane,andthenameisnotvisiblewhenthepaneisdocked. Ifyoudragthepaneorbuttongroupintotheworkspacearea,youllseeagray boxrepresentingthepositiontheitemwilloccupywhenyoureleasethemouse button.Ifyoudontlikethenewposition,youcanclicktheitemstitlebaranddrag itelsewhere,includingitsoriginalposition. Youcanalsodockapanetoadifferentedgeofthescreen,ormovebutton groupsaroundwithinthetoolbararea,insteadofundockingtheseitems.
Pinning and Unpinning Panes

Inadditiontomovingandresizingthevariouspanes,theresanotherwaythatyou cancustomizeyourCHEMCADscreen:pinningandunpinningtheCHEMCAD ExplorerandPalettepanes. Thesetwopanescantakeupafairamountofhorizontalscreenspace,and makingthemverynarrowisntanidealwaytowork.Pinningandunpinning provideawaytoviewfullwidthCHEMCADExplorerandPalettepaneswhenyou needthesetools,whilealsofreeingupspacewhenyouarentusingthem.
TheCHEMCADInterface
Whenevereitherofthesepanesisdockedatanedgeofthescreen,itisinoneof twostates: Pinned,meaningthatthepaneisalwaysvisible Unpinned,meaningthatthepaneismostlyhiddenfromview,andappearsonly ondemand
Bydefault,allCHEMCADpanesareinitiallypinnedinplace.Youcanchooseto unpinapaneifyouprefertohavesomeextraspaceonthescreen.Tounpinapane, findthetinypushpiniconinthepanestitlebar,nexttotheXiconthatenablesyou toclosethepane.Ifthepaneisstationary,youllseethatthepinisuprightwithits pointdown.
Figure 3-09: The icon indicating a pinned, or stationary, pane
Ifyouclickthepinicon,thepanesuddenlydisappearsfromviewbutitisnt gone.Instead,asmallgraytabbearingthenameofthepaletteappearsattheedgeof thescreenwherethepaneisdocked.Toseethepanereappear,youonlyhavetoroll yourmouseoverthattab.Whenthepaneappears,youllnoticethatthepushpin iconisnowpointedtotheside.UsethetoolsontheCHEMCADExplorerorPalette normally;then,whenyounolongerneedthepane,justmovethemousepointer elsewhere.Thepanewillautomaticallyhideitselfuntilthenexttimeyourollthe mouseoverthetab.
Figure 3-10: An unpinned pane in use; note the sideways pin icon
Torepinanunpinnedpane,pointtothetabtomakethepaneappearandthen clickthepinicon.Thepinturnssothatitisonceagainupright,andthepaneisonce againapermanentfixtureontheCHEMCADscreen.
Other Useful Interface Hints

ThefollowingarehelpfulitemsthatcanhelptomakeyourCHEMCADexperience easierandmoreefficient.
Undo and Redo

AswithmostWindowsbasedprograms,CHEMCADallowsyoutobackoutof actionsyouhavejusttakenwhileworkingwithafile.YoucanusetheUndo
TheCHEMCADInterface
commandtoreversethelastchangeyoumade;simplyselectEdit>Undo,orusethe keycombination[CTRLZ]. YoucanusetheUndocommandtoretractuptothelast99actionsthatyou performedsincethelasttimeyouopenedthecurrentsimulationfile.
Visible Grid
Youcanturnonaworkspacegridtouseasaguidewhilecreatingyourflowsheet. SelectView>GridVisibletotogglethisfeatureonoroff. OthergridoptionsincludeView>SnaptoGrid,whichhelpswithalignmentof objectsontheflowsheet,andView>ChangeGridSize,whichenablesyouto customizethehorizontalandverticalspacingofgridlines.
Adjusting Your View of the Workspace

TheView>ZoomOptionsmenuoffersawholeseriesofoptionsformovingand resizingyourviewoftheCHEMCADworkspace. SelectIntoviewtheworkspacefromcloserin,orOuttoviewfromfartheraway. SelecteitherInataPointorOutataPoint,andthenclickapointonthe workspace,tozoominoroutwiththatpointasafocus. SelectZoomRectangle,andthenclickanddragontheworkspace,todesignatea specificareathatyouwanttoview. SelectZoomPercentagetochooseaspecificdisplaysizefortheworkspace. SelectZoomtoFittoviewatthelargestsizethatstillpermitsalloftheexisting flowsheetelementstoremaininthevisibleworkspace.
Ifyourcomputermouseisequippedwithascrollwheelbetweentheleftand rightmousebuttons,youcanzoominandoutontheCHEMCADworkspacewitha touchofyourfinger.Tozoomin,rollthewheelupthatis,pushyourfingertip away,towardthetopedgeofthemouse.Tozoomout,rollthewheeldowntoward thebottomofyourmouse,pullingyourfingertiptowardyourpalm.Whenyou zoominandoutthisway,thefocalpointforthezoomisthelocationofthemouse pointer.

Note:Youcanalsoclickandholdthemousewheeltopanacrosstheworkspace.
The CHEMCAD Coach Pane

TheCHEMCADCoachpaneisnotdisplayedbydefault,butyoucanaccessitatany timebyselectingHelp>CHEMCADCoach.ThepurposeofCHEMCADCoachisto provideconciseinstructionsforcommonprocedures.Ifyouvelearnedhowto performacommonprocedureinCHEMCADbuthaveforgottentheexactmenu commandtouse,CHEMCADCoachcanhelpjogyourmemoryandputyouonthe righttrack.
TheCHEMCADInterface
YoucandragtheCHEMCADCoachwindowtoanylocationonthescreen, simplybyclickinganddraggingthetitlebaratthetopofthewindow. IfyouhavefinishedusingtheCHEMCADCoachtoolandwanttocloseit,just clicktheClosebutton(theredX)intheupperrightcorneroftheCHEMCADCoach window.NotethatifthemainCHEMCADwindowwasmaximizedbeforeyou openedtheCHEMCADCoachtool,youmayneedtomaximizetheCHEMCAD windowagaintorestoreittofullscreensize.
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Chapter 4
Working with Simulation Files
AlloftheworkthatyoudowithCHEMCADisstoredinsimulationfiles.Beginning withCHEMCAD6,eachdiscretesimulationispackagedintoasinglefilethatis portableandeasytohandle.AllthedetailsofthesimulationfromUnitOp specificationstostreamcompositiontothermodynamicsareincludedinthisfile. ThischapterdescribesthevariouswaysthatyoucanaccessandmanageCHEMCAD simulationfiles.
About CHEMCAD Simulation Files

SimulationscreatedinCHEMCAD6usethefileextension.CC6,whichdistinguishes themfromotherfilesonyourcomputer,includingsimulationfilescreatedusing earlierversionsofCHEMCAD. Oneofthemostnotabledifferencesbetween.CC6filesandpredecessorssuchas .CCXfilesistheirportability.A.CC6simulationfileisaseasytoworkwith, transport,andshareasanMSWorddocumentoranExcelspreadsheet.Whereas CHEMCADsimulationsoncerequiredextrastepsbeforetheycouldbeemailedor moved,simulationscreatedwithCHEMCAD6canbehandledasstandalonefiles.
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WorkingwithSimulationFiles
Figure 4-01: Stand-alone CHEMCAD 6 files in the My Simulations directory
User Components in CHEMCAD

AnotherdeparturefrompreviousversionsofCHEMCADisthatsimulations areselfcontainedwithrespecttothedataneededtorunthem.Customcomponents thatyoucreatecanbestoredinacommondatabasesothatyoucanusethemin manydifferentsimulations.Usercomponentsarealsostoredwithinthesimulations thatusethem,soyounolongerhavetoworryaboutlosingusercomponentswhen movingasimulationfromplacetoplace. Eachtimeyouopenasimulation,CHEMCADcomparesanyusercomponentsin thesimulationwiththecopiesofthosesamecomponentsinthedatabase.Ifthetwo copiesdonotmatch,youwillbeofferedachoice:youcankeepusingthelocalcopy storedinthesimulation,orusetheupdatedcopyfromthedatabase. YourcopyofCHEMCADcannowhavemultipleuserdatabases,andevenshare themonnetworkswithotherusers.Tolearnmoreaboutusercomponentsandbest practicesformanagingandsecuringusercomponentdatabases,seeChapter10, CustomizingCHEMCAD.
Example Files
EspeciallyifyourenewtoCHEMCAD,itsagoodideatoopenandpractice workingwithsomeexamplefilesbeforecreatingyourownsimulations.Forthis purpose,wevecreatednumerousexamplesofsimulationsfortypicalchemical processes.Youcanopen,view,andeditanyexamplefile,andevensaveacopyin anotherlocationtojumpstartasimulationofyourown. TheCHEMCADexamplefilesareautomaticallycopiedtoyourcomputerwitha completeCHEMCADinstallation.Theexamplesareorganizedbyprocesstypeand locatedinthe\MyDocuments\MySimulations\Examplesdirectory.
30
Opening an Existing Simulation

SelectFile>OpentobringuptheOpendialogbox.Navigatetothefolderwherethe simulationislocated,selecttheappropriate.CC6file,andclickOpen. IfyouuseCHEMCADonanetworkandsharefileswithotherusers,itspossible thatyoucouldtrytoopenasimulationthatisalreadyopenforeditingbyanother user.Ifyoushouldattempttoopenasimulationthatisunavailableforediting,a messageboxwillappear.Youcanchoosetosavethesimulationwithanewname and/orlocation,openareadonlycopyofthesimulation,orcanceltheopen operation.
Figure 4-02: Notification that a simulation is already in use
Ifyoushouldhavetroublelocatingaparticularsimulation,youcansearchyour harddriveornetworkforallfileswitha.CC6fileextension.
Creating a New Simulation

WhenyoufirstopenCHEMCAD,youllseeablanksimulationwindowand [Untitled]inthetitlebar. Youcanbeginbuildingyoursimulationrightaway,butitsrecommendedthat yousaveandnamethesimulationbeforeyouproceedveryfar.Thelongeryouwait tosavethesimulation,themoreyourisklosingyourworkifanunforeseen computerornetworkproblemshouldoccur. Ifyoualreadyhaveasimulationfileopenandwanttostartanewsimulation, firstsaveyourworkifapplicable.ThenselectFile>NeworclicktheNewtoolbar button,toclosethecurrentfileandbringupanewblanksimulationscreen.Note thatifyouhaveunsavedchangesinyourexistingfile,CHEMCADwillaskyouto saveordiscardyourchangesbeforeopeningthenewsimulation.
31
Saving a Simulation
Tosaveallchangesinasimulationthatyouhavealreadynamed,selectFile>Save orclicktheSavebuttononthetoolbar.
Note:Insomecases,suchasthebuiltinCHEMCADexamplefiles,existingfilesmay
besetasreadonlytopreventaccidentaloverwriting.Youcansaveacopyofaread onlyfileusingadifferentfilenameand/orfilelocation. Tosaveanewsimulationthatyouhaventyetnamed,selectFile>SaveAs.The SaveAsdialogboxappears,withCHEMCAD6(*.cc6)asthedefaultfiletype.Leave thefiletypeasitis,givethefileauniquename,andifnecessarynavigatetoanew filelocation.ClickSavetoclosethedialogboxandreturntothesavedsimulation.
Figure 4-03: Giving a new simulation a unique name
Note:UnlikepreviousversionsofCHEMCAD,thechangesyoumaketoasimulation
arenotsaveduntilyouusetheSaveorSaveAscommand.Thisoffersyougreater flexibilityinchoosingwhichchangestosaveordiscard. Savingandstoringallofyoursimulationsinthesamedirectoryhelpsprevent thelosttimeandfrustrationthatcanresultwhenfilesarescatteredindifferent locations.ItisrecommendedthatyoustoreyoursimulationsintheMySimulations folder,whichiscreatedautomaticallywithintheMyDocumentsfolderat installation.
Saving Different Cases for the Same Simulation

Incertainsituations,youmayneedtocreateagroupofsimulationsthatarenearly identicaltooneanother;previousversionsofCHEMCADreferredtosuchgroupsof similarsimulationsascases.InCHEMCAD6,eachsimulationisafreestandingfile, butyoucanstilleasilyclonesimulationsandmakeminorchangesforcomparison cases.
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Todothis,simplycreateasimulation,saveit,andthenselectFile>SaveAsto renamethenextcase.Maketheneededchangesforthatcase,saveit,andcontinuein thatveintocreateasmanyclonesofyouroriginalsimulationasneeded,with whateverdifferencesyourequire.
E-mailing a Simulation
WithCHEMCAD6,emailingasimulationisasimplematterofaddingafile attachment.Justopenyourpreferredemailprogram,createanewmessage,choose yourrecipientsandaddyourtext,thenusetheprogramscommandforattachinga file.Navigatetothefolderwherethesimulationislocated,selecttheappropriate .CC6file,andaddthefileasanattachment.
Figure 4-04: Adding a .CC6 file as an attachment in MS Outlook
Beforeyouemailasimulation,youshouldensurethatyouhavesavedany recentchanges.Also,itsagoodideatocheckthesizeofthefilebeforeaddingthe attachment,assimulationfilescaninsomecasesbequitelarge.
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Working with CHEMCAD Files from Previous Versions

YoucanuseCHEMCAD6toopensimulationsthatwereoriginallycreatedwith CHEMCAD5.Whenyoudothis,CHEMCADcreatesacopyoftheoriginal simulation,andmakesthatcopycompatiblewithallCHEMCAD6functionality.The flowsheetandsimulationdatainthecopyarenotalteredinanyway,andthe originalfileisleftintact. TobringanexistingsimulationuptodatewithCHEMCAD6,selectFile>Open, selectthesimulation,andclickOpen.Amessagewillappear,notifyingyouthatthe simulationwillbecopied.
Figure 4-05: Converting a CHEMCAD 5 file to the .CC6 format
ClickSavetobringuptheSaveAsdialogbox,whereyoucaneitherkeepor changethefilesnameandselectalocationfortheCHEMCAD6copy.ClickSaveto createandopenthenewfile.
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Chapter 5 Building and Using a Basic Simulation
AlthoughthetypesofsimulationsyoucancreateusingCHEMCADaremanyand varied,thebasicprocedureforcreatingasimulationcanbebrokendownintothe followingcommonsteps: 1. Startanewsimulation. 2. Selectengineeringunitsforthesimulation. 3. Createaflowsheetwiththeappropriatestreamsandunitoperations. 4. Selectchemicalcomponentsfortheprocess. 5. SelectKvalueandenthalpyoptionsfortheprocess. 6. Definethefeedstreamsusedintheprocess. 7. Enterspecificationsfortheunitoperations. 8. Runthesimulation. 9. Reviewtheresultsofthesimulation.
Starting a New Simulation

LaunchCHEMCADandthenselectFile>SaveAs.IntheSaveAsdialogbox, specifyanameandlocationforthesimulationfile. WhenyoufirstinstallCHEMCAD,thedefaultlocationforsavingnew simulationsisafoldercalledMySimulations,locatedwithinyourcomputersMy Documentsfolder.Youcansaveyournewsimulationtothatfolder,ortoany accessibledirectoryonyourcomputerornetwork.AsyoullnoticeintheSaveAs dialogbox,thefileextensionforCHEMCADsimulationfilesis.CC6.
BuildingandUsingaBasicSimulation
Selecting Engineering Units

Tospecifyengineeringunitsforthissimulation,selectFormat>EngineeringUnits. ThisbringsuptheEngineeringUnitSelectiondialogbox,whereyoucanselectthe unitstobeusedforeverythingfromtimeandtemperaturetosurfacetension.The majorityoftheoptionsinthisdialogboxarelocatedontheUnitsselectiontab,but youcanclickasecondtabcalledOptionsandreferencesformoreoptions. ThebuttonsalongthebottomoftheUnitsselectiontabenableyoutosetallof theunitstoEnglish,alternativeSI,SI,ormetric.Ifyourdesiredunitsdonotfitneatly intooneofthesecategories,youcanchoosetheclosestoneandthenmanuallyselect differentunitsforanyitemsyoulike. Ifyoudofindyourselfcustomizingyourlistofunits,youcansaveyour selectionsasaset,orprofile,thatyoucanquicklyduplicateforfuturesimulations.To dothis,firstsetalloftheunitsthewayyouwantthem,thentypeanameforthis profileandclicktheSaveProfilebutton. YoumaynotnoticeanythinghappeningwhenyouclickSaveProfile,butyou canverifythatyournewprofilehasbeensavedbyclickingtheLoadProfilebutton. Thisisthebuttonthatyouwilluseforfuturesimulations,toapplyyourcustom unitsprofilewithasingleclick.YoushouldseeaSelectItemscreenthatshowsthe nameyougavetheprofile.IfyouclicktheprofilenameandthenclickOK,youll loadyourcustomunitsprofile. BackontheEngineeringUnitSelectiondialogbox,clickOKtoapplyyour engineeringunitselectionsandcontinuecreatingyoursimulation.
Drawing the Flowsheet

Tocreatetheflowsheetforyoursimulation,youllneedtoaddtheappropriateunit operationiconstoyourworkspaceandconnectthoseUnitOpstooneanotherwith streams.ThisconnectedgroupofstreamsandUnitOpsformsthebasisforthe simulation. ThetoolsfordrawingaflowsheetarelocatedinthePalettepane,whichby defaultdisplaysontherightmarginoftheCHEMCADwindow.ThePalettepaneis dividedintoUnitOpcategories,oryoucanviewalloftheavailableUnitOpiconsat onceusingtheAllUnitOpsview.
Adding UnitOps
ToplaceaUnitOpicononyourflowsheet,followthesesteps: 1. OntheAllUnitOpspalette,findtheappropriateUnitOpiconforthe equipmentyouwanttorepresent.Whenyoupointtotheiconwiththe mouse,theboxaroundtheiconlightsup.ClicktheicontoselecttheUnitOp. 2. Moveyourmousecursortotheworkspacearea,notingthatthepointer displaysanoutlineoftheUnitOpiconyouveselected.Pointtothelocation
ontheworkspacewhereyouwanttoplacetheselectedUnitOp,andthen clickandreleasetheleftmousebutton.TheiconfortheselectedUnitOp appearswhereyouclicked. 3. RightclicktodeselecttheUnitOpdrawingtoolandreturntoanormal pointer.Youcannowclickintheworkspaceareawithoutdrawingduplicate UnitOps.
Selecting a Default Icon for a UnitOp

ForcertainUnitOps,youcanselectadefaulticontocustomizethewaythattypeof equipmentlooksonyourflowsheet.
Note:Iconsthatarealreadyinplaceontheflowsheetwillnotbeaffectedwhenyou
selectanewdefaulticon. YoucanseewhichiconsofferthisfeaturebymovingyourcursorovertheAll UnitOpspalette,notingtheboxesthatlightuparoundtheicons.AUnitOpthat offersachoiceofdefaulticonswillhaveablacktriangleinthelowerrightcorner whenyoupointtoitsbox.
Figure 5-01: Black triangle showing that the Divider UnitOp offers a choice of icons
ToselectanewdefaulticonforaUnitOp,clicktheblacktriangletoseeapopup selectionboxwithallavailableicons.Clicktheiconyouwanttouse;thaticon replacesthepreviouslydisplayedicononthepalette.Youcanchangethedefault iconforaUnitOpasoftenasyoulike.
Figure 5-02: Selecting a new default Divider UnitOp icon
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Manipulating UnitOp Icons

AfterdrawingaUnitOpicononaflowsheet,youcanmove,resize,ordeletetheicon asneeded. 1. Verifythatthemousepointercurrentlydisplayedisanormalarrow.Ifthe pointerdisplaysasaUnitOpiconoutline,rightclicktoturnoffUnitOp drawing. 2. ClicktheUnitOpiconsothatitsfoursizinghandles(blackboxesateach corner)appear. 3. ManipulatetheUnitOpiconasneeded: TomovetheUnitOp,clicktheiconanddragtoitsnewlocation. ToresizetheUnitOp,clickanysizinghandleanddraginwardor outwardtoachievethedesiredsize. TodeletetheUnitOp,rightclickandselectDelete,orsimplypressthe [DELETE]keyonyourkeyboard.
UnitOp ID Numbers
WhenyouplaceUnitOpsonyourflowsheet,CHEMCADassignseachoneaUnitOp IDnumberthatisuniquewithinthesimulation.TheUnitOpIDnumberisan importantidentifierfortheunit,andisusedinvariousreportsandchartsasyou workwiththesimulation.Bydefault,yourUnitOpswillbenumbered,startingat1, intheorderinwhichyoucreatethem;alltypesofequipmentsharethesamepoolof IDnumbers. IfyouwanttogroupyourUnitOpsnumericallybyequipmenttype,youcanuse theStartingIDsfeaturetoaccomplishthis. SelectFormat>StartingIDs,whichbringsuptheStreamandUnitOpStarting IDsdialogbox.HereyoullseeeachtypeofUnitOpavailableinCHEMCAD,each withadefaultsettingof1.ThismeansthatanynewUnitOpwillbeassignedanID fromthesamenumberpoolthenextnumber(1orgreater)thathasnotbeenused yetinthissimulation. Tosetupseparaterangesofnumbersfordifferentequipmenttypes,youcanedit thevaluesintheStreamandUnitOpStartingIDsscreen.Forexample,youcouldset theHeatExchangervalueto200,thePumpvalueto300,thePipevalueto400,and soon,usinganystartingvaluesthataremeaningfultoyou.AnyUnitOptypeyou dontassignastartingvaluewillpullIDnumbersfromthepoolstartingwith1, skippinganynumbersthatarealreadyassigned.
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Drawing and Connecting a Stream

Beforeyoucanaddastreamtoaflowsheet,youmustalreadyhavedrawnthe UnitOpsthatthestreamwillconnect.Followthesestepstoaddastream: 1. ClicktheStreamtoolintheupperrightcorneroftheAllUnitOpspalette. 2. Movethecursorontotheworkspace,notingthatthepointernowappearsas asmallplussign.FindtheiconfortheUnitOpwherethestreamwillstart, andpointattheiconsothattheblueinletdotsandredoutletdotsarevisible. IfthisUnitOpoffersmorethanoneoutletlocation,decidewhichoneyouwill use. 3. Pointattheredoutletdotsothatthepointerturnsintoasmallblackarrow. Clickandreleasetheleftmousebuttontostartdrawingthestream. 4. MovethecursortowardtheUnitOpwherethestreamwillend.Asyou approachtheUnitOpicon,theinletandoutletdotsonthaticonwillbecome visible.Ifmorethanoneinletlocationisavailable,decidewhichoneyouwill use. 5. Whenyoureachtheblueinletdot,clickthemouseagaintocompletethe stream. Afteryoudrawastream,theStreamtoolremainsactivesothatyoucandraw anotherstreamrightawayifdesired.Toturnoffstreamdrawing,simplyclickon anyblankareaoftheworkspace;thisreturnsyourpointertothenormalwhite arrow,whichyoucanusetoselectandmanipulateitemsontheflowsheet.
Choosing a Stream Route

IfyoudrawastreambyclickingonlyattheUnitOpoutletandinlet,CHEMCAD choosestheshortestandmostdirectpathforthestream.Insomesituationswhena UnitOpisinthedirectpathofthestream,forexampleyouwillneedtochoosea deliberaterouteforyourstream. Todothis,clickthemouseasyoumovefromoutlettoinlet,whereveryouwant thestreamtomakeaturn.Eachtimeyouclick,thestreamfreezesinplace,andfrom thereyoucanmakea90turntoeithertheleftortheright.Youcanaddasmany detoursasyouliketoastreambeforebringingitintoaUnitOpinlet.
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Figure 5-03: Stream 2 with automatic routing (above) and deliberate routing (below)
Rerouting a Stream
Evenafteryouvecompletedyourflowsheetandaddeddetailedinformationabout yourstreams,youcanstillrerouteastreamifneeded.Todothis,clickthestreamto selectit,thenrightclickandselectReroutestream.Theoldstreamdisappears, replacedbythebeginningofanewstreamoriginatingatthesameoutlet. Youcannowclicktocreate90turns,thesamewayyouwouldwithanew stream,toroutethestreamexactlywhereyouwantit.Yourlastclickmustcomplete thestreamatthesameinletyouusedbefore.Afterastreamisrerouted,itretainsall ofthestreamdetailthatyouhadpreviouslyentered.
Stream ID Numbers
Whenyoudrawstreamsinyourflowsheet,CHEMCADassignseachoneastream IDnumberthatisuniquewithinthesimulation.Thestreamnumberisanimportant identifierforthestream,andisusedinvariousreportsandchartsasyouworkwith thesimulation.Bydefault,yourstreamswillbenumbered,startingat1,intheorder inwhichyoucreatethem. IfyouwanttocreateaseriesofstreamswithaseparaterangeofIDnumbers fromtherestofyoursimulation,youcanusetheStartingIDsfeaturetoaccomplish this. SelectFormat>StartingIDs,whichbringsuptheStreamandUnitOpStarting IDsdialogbox.ThenscrolldowntotheStreamoptionandclicktheadjacentnumber column.EnterthenumberthatwillbethestartofyourseparatestreamIDpool,and
clickOK.IfyoulaterneedtodrawmorestreamswithIDnumbersinthenormal range,youcanreturntothisdialogboxandreloadthedefaultsetting. Forexample,todrawaseriesofutilitystreamswithIDnumbersstartingat300, youwouldsetthestreamstartingIDoptionto300anddrawthestreamsinquestion. Thosestreamswouldbenumbered300,301,302,andsoforth.Afterdrawingallof yourutilitystreams,youwouldthensettheStreamIDoptionbackto1,sothatthe nextnewstreaminthemainflowsheetwouldbeassignedthenextavailablestream IDfromtheregularpoolofnumbers.Youcanresetthestreamoptionnumberas manytimesasneededwhileyoucreateandedityoursimulation.
Other Drawing Tools

InadditiontotheStreamtoolandthevariousUnitOpicons,thePalettepaneoffersa texttool,aswellastoolsfordrawingrectangles,ellipses,lines,multipartlines,and polygons.
The Text Tool

Toplacetextonaflowsheet,selecttheTexttool(whichdisplaysalargeletterT)on theAllUnitOpspalette.Whenyoumoveyourcursorovertheworkspace,youll nowseethatyourpointerhasbecomeaverticalline.Clickthemousetoplacea blinkingcursorontheflowsheet. Starttypingthetextthatyouwanttoadd.Youwillseethetextappearwherever youclickedthemouse.Whenyoufinish,clickanywhereintheworkspacetoturnoff theTexttool. Youcannowclickanddragyournewblockoftextaroundtheworkspace.You canalsoselectFormat>ColororFormat>Fonttoaccessvariousstandardtextand objectformattingtools.
Simple Drawing Tools: Rectangle, Ellipse, and Line

Youcandrawvariousshapesasneededonaflowsheet.Thesimplestoftheseshapes todrawarerectangles,ellipses,andlines. Toaddanyoftheseshapestoaflowsheet,simplyclickthecorrespondingtoolin theAllUnitOpspalette.Then,thenclickanddragintheworkspacetodrawthe shape,releasingthemousebuttonwhenyouhaveachievedthedesiredsizeand shape. Notethattomakeaperfectsquareorcircle,youcanholddownthe[SHIFT]key asyoudrawwiththeRectangleorEllipsetool,respectively.
Complex Drawing Tools: Multi-line and Polygon

Inadditiontothesestraightforward,clickanddragshapes,youcanalsocreatemore complexshapesandlinesonaflowsheet. Tocreateanyopenfigurewithanirregularshape,selecttheMultilinetoolinthe AllUnitOpspalette.Moveyourcursortotheworkspaceandclickintheareawhere
youwanttostartdrawing.Thenmovethecursorandclickagaintocreatethe shapesfirstline.Keepclickingandmovingthemouseuntilyouvecreatedthe shapeyouwant,andthendoubleclicktocompletetheshapeandturnofftheMulti linetool. Tocreateanirregularclosedpolygon,selectthePolygontoolandthenmove yourcursortotheworkspace.Clickwhereyouwanttostartdrawing,andthenclick asecondtimetocreatethefirstsideofyourpolygon.Afterthesecondclick,youll begintoseetheopenareabeingcreated.Continuemovingthecursorandclicking untilyouarereadytoplaceyourlastpoint,andthendoubleclicktocompletethe shapeandturnoffthePolygontool. Notethatyoucanholddownthe[SHIFT]keywhileusingthePolygontoolto createarighttriangle.
Selecting Chemical Components

Youcanselectchemicalcomponentsforyoursimulationatanypointwhilecreating theflowsheet,oryoucanwaituntilyouvedrawntheentireflowsheetbeforeadding components.Beforeyoucanrunthesimulation,youwillneedtolistevery componentinvolvedinyourchemicalprocesssothatCHEMCADcanworkwith thosecomponentsproperties. ThesechemicalcomponentsarepulledfromCHEMCADscomponentdatabase,a masterlistofthousandsofchemicalswiththeirassociatedproperties.Whenyoure readytolistcomponentsforyoursimulation,selectThermophysical>Select ComponentstoopentheSelectComponentsdialogbox.Notethatyoucanalsoopen thisdialogboxbyclickingtheSelectcomponentsbuttononthetoolbar.
Figure 5-04: The Select components button
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Figure 5-05: The Select Components dialog box
TheAvailableComponentscolumnliststhecontentsoftheCHEMCAD componentdatabase,whiletheSelectedComponentscolumnliststhecomponents currentlyincludedinthissimulation.Foranewsimulation,theSelected Componentslistisemptyatfirst. Everychemicalthatwillbepartoftheprocess,whetheritsafeedstream, product,orutility,mustbelistedonthissimulationscomponentlist.
Finding a Component
BecauseofthelargenumberofcomponentsintheCHEMCADcomponentdatabase, scrollingupanddownthelistofavailablecomponentscanbetimeconsuming.To findaspecificcomponentquickly,usetheSearchfieldatthebottomoftheSelect Componentsdialogbox. TypethenameofthechemicalyouwanttofindintheSearchfield.Witheach letterthatyoutype,CHEMCADsuggestspossiblematchesintheAvailable Componentslist.Inthefollowingexample,typingtheletterswaintheSearchfield hashighlightedtheWatercomponent.
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Figure 5-06: Using the Search field to locate the Water component
Notethatinsomesituations,thefirstresultmaynotbetheoneyouwant.For example,typingethaneintheSearchfieldbringsuptheMethanecomponentat first.Toseethenextmatchforyourtext,clickNext;continueclickingthisbuttonas neededuntilyoufindthedesiredcomponent. TheSearchfieldacceptsbothtextandnumericentries.Bydefault,CHEMCAD willsearchforyourentryamongallchemicalnames,chemicalformulas,and CHEMCADdatabaseIDs;ifyoulike,youcanalsosearchbyCASnumber.Toturn anyofthesesearchoptionsonoroff,clicktheOptionsbuttonbelowtheSearchfield. ThisbringsuptheSearchOptionsdialogbox,whereyoucanspecifywhichdatato includeinyourcomponentsearches.
Figure 5-07: Selecting which data to include in component searches
Note:YoucanaddyourowncustomcomponentstotheCHEMCADcomponent
database.Formoredetailsaboutthisfeature,seeChapter10ofthismanual.
Adding a Component
OnceyouvelocatedthecomponentyouwantintheAvailableComponentslist, simplydoubleclickthecomponenttoaddittotheSelectedComponentslistforyour simulation. YoucanalsoselectmultiplecomponentsintheAvailableComponentslistand thenclicktherightarrowbutton,locatedbetweenthetwocolumns,toaddthe
componentstoyoursimulation.Toselectmultiplecomponents,useWindows standardselectionmethodsofholdingdown[SHIFT]toselectcontiguousitemsor holdingdown[CTRL]toselectnoncontiguousitems.
Figure 5-08: Adding multiple components using the right arrow button
Ifyouwouldliketoduplicatethecomponentlistfromanexistingsimulation, clickCopyFromAnotherSimulation.IntheresultingOpendialogbox,navigateto thedesiredsimulation,selectthatsimulation,andclickOpen.TheSelected Componentslistisnowpopulatedwiththecomponentsusedinthesimulationyou selected;youcanaddordeleteitemstocustomizethelist.
Changing the Order of Selected Components

WhenyourSelectedComponentslistforasimulationisparticularlylong,youmay findithelpfultoplacecertaincomponentsateitherthetoporthebottomofthelist. Youcanaddcomponentsinanyorder,andthenmovethemaroundinthelistas needed. TomoveacomponenttoanewpositionintheSelectedComponentslist,click thecomponenttoselectitandthen: ClickToptomoveittothefirstpositiononthelist. ClickUptomoveituponeposition. ClickDowntomoveitdownoneposition. ClickBottomtomoveittothelastpositiononthelist.
Removing Items from the Selected Components List

ToremoveasinglecomponentfromtheSelectedComponentslist,clickthe componenttoselectitandthenclickDeleteinthebottomrightareaoftheSelect Componentsdialogbox.
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ToremoveallcomponentsfromtheSelectedComponentslistandbeginagain, clickClear,justtotherightofDelete.Ifyouhavechangedyourmindaboutadding componentsatthistime,youcansimplyclickCanceltobackoutofcomponent selection.
Selecting K-value and Enthalpy Options

ThefirsttimeyoucompletetheComponentSelectiondialogbox,youllbetakento theThermodynamicsWizarddialogbox.Atthispoint,youcaneitherclickCancelto skipthewizardandenterthermodynamicsmanually,orenterparametersinthe dialogboxandclickOKtoseewhichmethodsthewizardsuggests.
Using the Thermodynamics Wizard

Properselectionofthermodynamicsisgenerallythemostimportantstepina processsimulation.Apoorthermodynamicsselectionmayleadtounrealistic simulationresults. TheThermodynamicsWizardmakesgeneralsuggestions,basedonyour componentlistandthespecifiedrangesfortemperatureandpressure.
Selecting Components to Ignore

Intheupperportionofthewizardscreen,usethedropdownboxestoindicateany componentsthattheThermodynamicsWizardshouldnotconsider.Thismayaffect theresultsformodelsuggestion.Forexample,ifyouareusingwaterasacoolant andyourothercomponentsarealkanes,theThermodynamicsWizardwillchoose UNIFAC.Ifyouspecifythatwatershouldbeignored,thewizardwillignorethe waterandselectSRK.
Specifying Process Conditions

Inthelowerportionofthewizardscreen,specifytheapproximatetemperatureand pressurerangesforthisprocess.Enteringaccurateinformationinthesefieldswill helptheThermodynamicsWizardreturnamoreusefulrecommendation. IntheBIPDataThresholdfield,entertheminimumpercentageofpossible binaryinteractionparameters(BIPs)whichmustbepresentinaBIPactivity coefficientmodel(NRTL,Wilson,etc).WithoutBIPs,activitycoefficientmodels simplifytoRaoultslaw.
How the Thermodynamics Wizard Makes Suggestions

CHEMCADsThermodynamicsWizardfollowsalogictreetochooseamodel.The logictreeassumesthatallyourcomponentsaremixedinavessel,withconditions fallingintothespecifiedtemperatureandpressureranges.
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Ifallcomponentsarehydrocarbons,thewizardwilllikelysuggestan equationofstate. Ifwaterispresent,thewizardwilllikelyselectanactivitycoefficientmethod.

Ifwaterandhydrocarbonsarepresent,thewizardwilllikelyselectUNIFAC. Ifwaterandstrongelectrolytes(HCl,NaOH,etc.)aredetected,thewizard willsuggestelectrolytemodels.
Temperatureandpressurerangewillaffecttheselectionofmodel.Ifpressureis high,CHEMCADismorelikelytosuggestanequationofstate.Ifpressureis atmosphericandtemperatureisbelowthenormalboilingpointofallcomponents, CHEMCADmaychoosealiquidactivitymodeloridealvaporpressure.
Should the Thermodynamics Wizard be trusted to make design decisions?

Usethewizardasastartingpointforyourdecision.Properselectionof thermodynamicsistheengineersresponsibility.Yoursimulationmaycallforthe useofadifferentthermodynamicmodelthanwhattheThermodynamicsWizard suggests.
Manually Selecting Thermodynamics Settings

Tosetupthermodynamicsforyoursimulationmanually,followthesesteps: 1. SelectThermophysical>ThermodynamicSettings,orclickthebuttonbythe samenameonthetoolbar.
Figure 5-09: The Thermodynamic Settings button on the toolbar
2. ThisopenstheThermodynamicSettingsdialogbox.Startbydetermining, basedonyourprocessknowledge,whetheryoursystemhastwoliquid phasesorasingleliquidphase.IntheGlobalKValueModelfield,selecta methodthatcancalculatethephasebehaviorrelevanttoyoursystem. 3. Basedonthespecificcircumstancesofyourprocess,makeanyneeded alterationstotheoptionsdisplayedontheKvalueModelstab.Notethatthe optionsappropriatetoyourselectedKvaluemethodaredisplayedinblack, whileirrelevantoptionsaredisplayedingray. 4. ClicktheEnthalpyModelstab,selectthemostappropriatemodelinthe GlobalEnthalpyModelfield,andmakeanyotherchangestotheoptionson thistabasneededforyourprocess. 5. ClicktheTransportPropertiestabandverifythatthesettingsthereare appropriateforthissimulation.Changeanysettingsasneededandthenclick OKtoclosetheThermodynamicSettingsdialogbox. 6. Ifyouvemadeanychanges,amessageboxappears:Allstreamsshouldbe reinitialized.Proceedwithreinitialization?ClickYestoreinitializeallstreams now,orNoifyoudprefertowaitandreinitializethestreamslater.
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Defining Streams
Thestreamsthatyouhavedrawnonyourflowsheetarestilljustlineswithnodata behindthem,sothenextstepistoeditthesestreams,populatingthemwith compositiondataandotherproperties.
Note:Inmostsituations,thestreamsyoullneedtodefinewillbethefeedstreamsin
yourprocess.Othertypesofstreams,suchasrecyclecutstreams,mayalsorequire definition. Youcaneditasinglefeedstreamusingeitherofthesemethods: Doubleclickthestream. OntheSimulationtabintheCHEMCADExplorer,expandFlowsheetand thenStreams,rightclickthestreaminquestion,andselectEditStream.
Youcaneditallfeedstreamsintheflowsheetatonceusingeitherofthese methods: SelectSpecifications>FeedStreams. ClicktheEditFeedStreamstoolbarbutton(justtotheleftofthegreenRun Allbutton).
Whichevermethodyouchoose,youllseetheEditStreamsdialogbox,with eitherasinglecolumnofdataoracolumnforeachfeedstreamintheflowsheet.In thisdialogbox,specifypropertiesforeachfeedstreamlisted.
Thermodynamic Properties
Youmustspecifyexactlytwoofthefollowingthreevariables: Temperature Pressure Vaporfraction
CHEMCADwillcalculatethethirdvariableandenthalpy,basedonthetwo variablesyouspecifyandthethermodynamicsmethodyouveselected.
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Stream Composition
Todefinethestreamcomposition,youllneedtospecifyacompositionunitandthe amountofeachcomponentthatispresentinthestream. SelectaunitfromtheCompunitdropdownlist,andthenbasedonthat selection,populatethefieldforeachcomponentwiththeappropriateamount, percentage,orfraction. Forstreamcompositionsexpressedasapercentageorfraction,youcanenter valuesthatdonottotal100%.Inthiscase,CHEMCADwillnormalizethe compositiontofractionalvaluesthattotal1.Topreviewthenormalizedvaluesthat CHEMCADassignstothecomponents,clickFlash.
Total Flow Properties

Ifthecomponentflowengineeringunitusedforastreamisdimensionless(i.e.,mole fraction,weightfraction,orvolumefraction),youmustspecifythefollowingflow properties: Totalflow Totalflowunit
Ifyouenteryourcomponentamountsasfractions,thenyoumustalsoentera totalflowrate.Ifyouentercompositionamountsusingquantitativeflowunits, CHEMCADcalculatesthetotalflowrateforyou.
Specifying Equipment Parameters

Onceyouhavespecifiedthenecessarystreampropertiesforyoursimulation,the nextstepistoenterspecificationsfortheUnitOps.Youcaneditthepropertiesofa UnitOpusinganyofthefollowingmethods: DoubleclicktheUnitOpiconontheflowsheet. ClicktheUnitOpiconandthenselectSpecifications>EditUnitOps>Select UnitOps. OntheSimulationtabintheCHEMCADExplorer,expandFlowsheetand thenUnitOps,rightclicktheUnitOpinquestion,andselectEditUnitOp Data.
ThedialogboxthatdisplayswhenyougotoeditaUnitOpspropertieswill dependonthetypeofUnitOp.TheStreamMixerUnitOp,forexample,hasonlyone specificationthatyoucanset,whiletheSCDSDistillationColumnUnitOphasfive tabbedpagesofdetailedsettings.
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Figure 5-10: Two different UnitOps that require very different amounts of input
ThedetailedinformationaboutthespecificationsforeachtypeofUnitOpis containedintheCHEMCADHelpsystem,whichyoucanaccessfromany CHEMCADscreenbypressingthe[F1]key. Thesespecificationscreensdo,however,havecertainrulesincommon: Itemswithgreentextlabelsarerequiredentries. Allotherentriesareoptional. ClickingOKsavesyourspecificationchanges;clickingCanceldiscardsthem.
AfteryouclickOK,CHEMCADchecksyourdataforinternalconsistencyand thenreturnserrorsorwarningsaswarranted.TheseitemsdisplayintheMessages paneintheCHEMCADwindow.
Running the Simulation

NowthatyouvedrawntheflowsheetandaddeddetailtothestreamsandUnitOps thatmakeuptheflowsheet,youcanrunthesimulation.YoucaneitherselectRun> Run>RunAllorsimplyclickthegreenRunAllbuttononthetoolbar. Whenyourunasimulation,CHEMCADcalculatesmaterialandenergybalances throughouttheentireflowsheetandreturnsanyerrorsorwarningsdiscoveredin theflowsheet.Iftheruncompletessuccessfully,aRunfinishedmessageappearsat thefarleftofthestatusbar,attheverybottomoftheCHEMCADwindow.
Note:ForpreliminarychecksofindividualUnitOpsorgroupsofUnitOps,youcan
selectRun>Run>RunSelectedUnitOps,orrightclickanyUnitOponthe flowsheetandselectRunthisUnitOp.
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Reviewing the Results

Afterasimulationhasrun,youcancallupanynumberofindividualtextbased reportsorgraphicalplots,eitherforonscreenviewingorforprinting.Reportscan providedataonanysinglestreamorUnitOp,oranygroupofstreamsorUnitOps,in asteadystateordynamicsimulation.Youcanalsorequestaconsolidatedreportthat providescomprehensivedataonthestreamsandUnitOpsyouselect.
Note:CHEMCADreports,plotting,andplotprintingarecoveredindetailin
Chapter8,OutputandReports.
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Chapter 6
Using CHEMCAD for High-fidelity Modeling
UnitoperationspecificationsinCHEMCADvarygreatlyindetail,fromvagueand conceptualtoextremelyspecificandrealistic.Dependingonthedemandsofyour processandwhatyouretryingtoachievewithyoursimulation,youmayworkwith whatwecalllowfidelitymodeling,highfidelitymodeling,orboth. ThischapteraddressesCHEMCADscapacityforhighfidelitymodelingand howtoachieveahighlevelofrealismwithyourUnitOps.
What is high-fidelity modeling?

Withlowfidelitymodeling,youspecifywhatyouwant,orwhatyouhaveobserved, andCHEMCADmakesitscalculationsbasedontheassumptionthatyoucan achievewhatyouvespecified.Itscommontospecifyobservedpropertiessuchas temperatureand/orpressurecomingoutofaUnitOp,orcomponentpuritycoming outofaseparationunit.Specifyingtemperaturecomingoutofaheatexchangerisan exampleoflowfidelitymodeling. Highfidelitymodeling,ontheotherhand,requiresthatyouenternumerous extensivevariables.CHEMCADcalculatestheresultingconditionsbasedonthese detailedentries.Withhighfidelitymodeling,youreoftenrequiredtospecify geometryrelatedvariablesforaUnitOpsothatCHEMCADcancalculateprecise conditionsattheequipmentsoutlet. Heresthekeydistinctionbetweenlowfidelityandhighfidelitymodelingin CHEMCAD: Lowfidelity:YouspecifythedesiredresultsandCHEMCADassumesthatyou canachievethoseresultswiththeequipmentyouhave.
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UsingCHEMCADforHighfidelityModeling
Highfidelity:YouspecifyenergyandequipmentparametersandCHEMCAD calculatestheactualresults.
Criteria for High-fidelity Modeling

TotakeadvantageofCHEMCADshighfidelitymodelingcapabilities,youmust providedetailedspecificationsforyourequipment.Todothis,mostUnitOpsrequire thatyouselectacalculationmodethatallowsforentryofhighfidelitycaliberdetail. Forexample,ifyouhaveapumpthatissettothedefaultmodeofSpecifyoutlet pressure,youllgetalowfidelityresultfromthispumpthatis,thesimulationwill usetheoutletpressurethatyouspecify,butwithoutconsiderationforthesizeofthe pump,theamountoffluidenteringthepump,orinletpressure. IfyouswitchthepumptoSpecifyperformancecurve,ahighfidelitymode,youll needtoenterdatapointsfromthepumpsperformancecurve,eitherforasingle speedlineorformultiplespeedlines.Usingthismode,CHEMCADwillcalculate thechangeofpressureheadbasedontheperformancedataandtheinletvolumetric flowrate.Thisprovidesarealisticpressureincreasefortheactualpumpthatyour processuses. NoteverytypeofCHEMCADUnitOplendsitselftohighfidelitymodeling.The followingsectionsdiscussvarioustypesofUnitOpsthatdoofferhighfidelity calculationmodes,andprovidesomebasicinformationabouthowtousethose modes.
Introduction to Equipment Sizing

EquipmentsizinginCHEMCADisoptional.ItentailsusingtheSizingmenu options,generallyafterrunningasimulation,tocalculateapproximatesizesfor pipes,vessels,valves,orifices,andotherequipment.
Figure 6-01: The Sizing menu, showing heat exchanger sizing options
Equipmentsizingcancomplementlowfidelityresults,andoftenprovidesan excellentstartingpointforhighfidelitymodeling.Youcanusecertainsizingresults asinputforhighfidelitymodelsofUnitOpsinyoursimulation.Specifying geometricparametersforUnitOpscanhelpyouobtainmorerealisticresults. Notethatforlowfidelitymodeling,sizingdoesnotchangeconvergedflowsheet results.Also,forsomeUnitOps,certaingeometryparametersmustbeentered regardlessoftheselectedcalculationmode.

High-fidelity Modeling and Sizing for Common UnitOps

HighfidelitymodelingdoesnotapplytoallCHEMCADUnitOps.Thissection summarizesthoseUnitOpsforwhichyoucanusehighfidelitymodeling,and comparesthatapproachforeachUnitOptypetolowfidelitymodeling.Where applicable,UnitOpsizingisalsodiscussedasitrelatestolowfidelityversushigh fidelitymodelingoftheseUnitOptypes.
Piping
Youcanuseeitherloworhighfidelitymodelingforpipinginyoursimulation. Pipelinesizingisdonebasedonthecompositionofaselectedstream.
Low-fidelity
Forlowfidelitymodelingofpiping,youarerequiredtospecifypipediameterand lengthinmostmodes;designmodesthatcalculatediameteraretheobvious exceptiontothis.Thepressuredropthroughthepipeiscalculatedbasedon diameter,length,andflowratethroughthepipe.
Sizing
Toperformsizingcalculations,selectSizing>Piping.Selectoneormorestreams, theninthePipeSizingdialogbox,selectasizingoptionandclickOKforlinesizing results.Youcanusetheseresults,suchassuggestedpipethicknessanddiameter,to specifygeometryforaPipeUnitOp,orsimplyreviewthemfortheinformationyou need.
Figure 6-02: Line sizing results from the Pipe Sizing dialog box
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High-fidelity
Inhighfidelitypipingmodels,PipeUnitOpsinteractwithNodeUnitOpstobalance pressureandflowrateshydraulicallyamongconnectedpiecesofflowbased equipment.NodesmustbeplacedonbothsidesofallPipeUnitOpstobeincluded inhydraulicbalance;pressureandflowconstraintsaresetatthenodes,notinthe pipes. Ahighfidelitypipingmodelcanshowchangesinflowratebasedonback pressurewheretwopipesmix,whereasalowfidelitymodelwouldsimplyassign theloweroftwospecifiedpressurestotheoutletwithoutconsiderationforback pressure.
Pumps, Compressors, and Expanders

Youcancreatepump,compressor,andexpanderUnitOpsusingeitherlowfidelity orhighfidelitymodeling.
Low-fidelity
Fortheseequipmenttypes,CHEMCADcalculatespowerusageandthermaleffects onthefluid,basedonspecifiedoutputpressureorpressureincrease.Other parameters,suchasefficiency,areoptionalbutdoaffectresults.
High-fidelity
Toproduceahighfidelitymodelfortheseequipmenttypes,youmustselectthe operationmodeinwhichyouspecifyperformancecurvesthatis,pressurechange asafunctionofvolumetricflowrate.Thisperformanceinformationisgenerally availablefromtheequipmentvendor.Basedonthevolumetricflowenteringthe UnitOp,CHEMCADcalculatesoutletpressure. Aswithpiping,highfidelitymodelingforpumps,compressors,andexpanders canbeusedwithnodesaspartofahydraulicflowbalancednetwork.
Vessels and Tanks

Youcanaddvesselsandtankstoyoursimulationsusinghighfidelitymodeling,or performlimitedapproximationoftheseequipmenttypeswithlowfidelityinsteady state.Sizingisavailableforcertaintypesofvessels.
Low-fidelity
Withlowfidelitymodelingofavesselortank,astreamenterstheFlashUnitOpand separatesintovaporandliquid;CHEMCADdoesnotconsiderholduporliquid levelinthetank.Ifyouwanttotakeasteadystatesnapshotofthevessel,youcan manuallyadjusttheflowrateand/orthermalconditionstomakevolumetricflow ratesmatchthevolumeofthevessel.
Note:TheTankUnitOpisspecificallyintendedforusewiththeBatchColumn
UnitOp.Itdoesnotrepresentastandardstoragetankforgeneralpurposes.
Sizing
Tocalculatesizingforavessel,selectaFlashUnitOpandthenselectSizing>Vessel. ChooseeitherLVVessel(liquidvaporvessel)orLLVVessel(liquidliquidvapor vessel),dependingonyourneeds.Intheresultingdialogboxes,enterthe appropriatevaluesforyourvesselandclickOK.
Figure 6-03: Sizing a vessel in CHEMCAD
TheresultsthatCHEMCADreturnsincludebasicvesselgeometrysuchasheight anddiameter. Youcanalsoperformvesselsizingonaconvergeddistillationcolumnto calculategeometryforarefluxdrumorsimilarpieceofequipment.
High-fidelity
Youcanperformhighfidelitymodelingonlyonbatchreactorsanddynamicvessels, andonlywithaCCDYNAMICSlicense(fordynamicvessels,aCCSAFETYNET licensewillsuffice).IfyouspecifythegeometryofyourvesselanduseCHEMCADs dynamicsmode,youcanstudywhathappensinthevesselovertimeasmaterialis addedorwithdrawn. Unlikesimpleflashvessels,batchreactorsanddynamicvesselsdoconsider holdup,liquidlevel,andvariablepressureovertime.
Valves
ValvemodelinginCHEMCADcanbeeitherlowfidelityorhighfidelity.Youcan sizeacontrolvalvebasedonanyflowsheetstream.
Low-fidelity
TheVALVUnitOpisusedforlowfidelitymodelingofavalve.Forthistypeof UnitOp,youspecifyoutletpressureorpressuredecreasethroughthevalve.
Sizing
SelectSizing>ControlValve,thenselectastream.IntheControlValveSizing dialogbox,specifytheoutletpressureforthetheoreticalvalve,andenterother specificationsasappropriate.WhenyouclickOK,CHEMCADreturnsinformation suchascapacitycoefficient(Cv)andvalvesize.
Figure 6-04: The Control Valve Sizing dialog box
High-fidelity
TheCVALUnitOpisusedforhighfidelityvalvemodeling.Decidewhichvalues youwillprovideandwhichvaluesCHEMCADwillcalculate,andselectthe appropriateoperatingmodeintheControlValvedialogbox.ProvidethevalvesCv value,andanyotherspecificationsasneeded. Controlvalvescanbeusedwithnodesaspartofahydraulicflowbalanced network.
Columns
ColumnsinCHEMCADcanbemodeledaseitherlowfidelityorhighfidelity.You canperformsizingonanyconvergedcolumn.
Low-fidelity
Forlowfidelitymodelingofcolumns,usetheTower,TowerPlus,orSCDSUnitOps. Specifyidealstagesandtheconditionsatthereboilerandcondenser,asapplicable. Alowfidelitycolumnmodeldoesnotconsidermasstransfereffectsorcolumn internals. Differentcolumnspecificationscanprovidemorerealismwithouttaking geometryintoaccount.Specifyingtoppurityisaverylowfidelitymodel,while specifyingrefluxratioorcondenserdutycanbringyourresultsclosertoreality.
Sizing
Afterrunningyoursimulation,clicktheUnitOprepresentingthedistillationcolumn andselectSizing>Distillation;chooseeitherTraysorPacking,basedonthetypeof column.
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Theresultingdialogboxespromptyoutoenterinformationaboutyourtraysor packingandthecalculationmethodsyouwanttouseforcolumnsizing.Youwill generallyneedtoentersomegeometryandhydraulicparameterstocomplete columnsizing.
Figure 6-05: Specifying high-level tray data for distillation column sizing
Figure 6-06: Specifying detailed tray data
Basedonflowsheetvaluesandyoursizinginput,CHEMCADreturnscolumn geometryinformationsuchasheightanddiameter.Italsoprovideshydraulic performanceinformationsuchaspredictedamountofflooding.

Note:Theresultsofcolumnsizingcalculationsdonotinteractivelychangetheresults
oftheflowsheetsimulation.
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High-fidelity
Toperformhighfidelitymodelingofadistillationcolumninsteadystate,usethe SCDSUnitOpandselecteitherofthemasstransfersimulationmodelsforthe column. Youwillneedtospecifygeometryforthecolumnandchooseacalculation methodfortheselectedmasstransfermodel.CHEMCADcalculatescolumn performancebasedonyourpackingortrayspecifications. Forcolumns,masstransferbasedmodelingperformsrigorousnonequilibrium mixingofvaporandliquid,whereaslowfidelitymodelingassumesidealmixing. Toperformhighfidelitymodelingofadistillationcolumnindynamics,specify thegeometryofthecolumnanddetailsaboutthecontrolsystem.Thisdynamic distillationcanconsidercolumnholdupandtheeffectofvariableschangingover time.
Note:TheShortcutColumnUnitOpisnotarigorouscalculationmodel.Unlessyour
systemsatisfiestheconstantmolarunderflowassumption,youshouldconsider usingadifferenttypeofdistillationcolumn.
Heat Exchangers
Whenspecifyingaheatexchangerinasimulation,youcanuseeitherloworhigh fidelitymodelingaswellassizing,dependingonthetypeofheatexchanger involved.
Low-fidelity
Whencreatingasimulation,youcanusealowfidelityapproachbysimply specifyingthethermalconditionscomingoutoftheexchanger.Specifyingheatduty insteadofmerelyanoutlettemperaturebringsyourresultsclosertoreality,butthis approachstilldoesntconsidergeometry.
Sizing
YoucanusetheCCTHERMmoduleforrigorouscalculationofheattransfer coefficient(U)basedonheatexchangergeometry.Inratingmode,CCTHERM determineswhethertheuserspecifiedheatexchangeriscapableoftheflowsheet heatexchangerperformance.Indesignmode,CCTHERMcalculatesanexchanger designthatiscapableoftheflowsheetperformance.
High-fidelity
Forsomeexchangercategoriesspecificallyshellandtubeanddoublepipeyou canusetherigorousCCTHERMmodeltocalculateheatexchangerperformance. TheflowsheetresultsarebasedonrigorouslycalculatedUvalueandthespecified exchangergeometry.Youcanalsodetermineapproximatefoulingofaunitifactual outlettemperaturesareknown.
Figure 6-07: Heat exchanger summary report generated as an Excel worksheet
Relief Devices
Forreliefdevices,sizingisnotnecessarilydistinctfromlowfidelitymodeling.To modeldynamicreliefofavessel,youcaninsteadusehighfidelitymodeling.
Low-fidelity
Tomodelasteadystatesnapshotofareliefdevice,selectSizing>ReliefDevice, specifyratingordesignmode,andselecttheappropriateoptionsforyourrelief scenario.WhenyouclickOK,CHEMCADreturnsareliefdevicecalculation summary. IfyouselecttheRigorousintegralanalysisdesignmethodwhensizingarelief device,youwillobtainamoredynamicresult.
Figure 6-08: Selecting the rigorous integral analysis method for relief device design
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High-fidelity
YoucanperformhighfidelityreliefdevicemodelingfortheBatchReactorand DynamicVesselUnitOps.Youcanspecifythereliefdevicenozzlearea,aswellas otherspecificationsforyourreliefscenario.Thisenablesyoutostudythedynamic reliefofthevessel.
Licensing Considerations for High-fidelity Modeling

Tousetheheatexchangersizingfunctionality,youmustcurrentlyhaveavalid licensefortheCCTHERMmoduleofCHEMCAD.Tousebatchreactors,youllneed avalidlicensefortheCCDYNAMICSmodule.Fordynamicvessels,alicensefor eitherCCDYNAMICSorCCSAFETYNETisrequired. Eachofthesemodulesislicensedindependently.Tovieworchangethe dispositionofyourvariousproductlicenses,seetheCHEMCADLicenseMonitor screen(Tools>Options>Licensingwhenasimulationisopen,orLicense> Licensingwhennosimulationisopen). Ifyoudontcurrentlyhaveaccesstotheheatexchangersizingordynamics featuresandwanttoaddanyofthesemodulestoyourcopyofCHEMCAD,contact thepersonwithinyourorganizationwhohandlessoftwarelicensing,orif appropriate,youcancontactChemstationsoraCHEMCADdistributordirectly.For acompletelistofChemstationscontactsforallpartsoftheglobe,seeourwebsite (www.chemstations.com).
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Chapter 7 Building and Using a Dynamic Simulation
Whilesteadystatemodelingcanprovidealloftheinformationyouneedformany purposes,itsofteninformativetolookcloselyatthechangesovertimethataffect yourstreamsandequipment.CHEMCADsCCDYNAMICSmodulemakesit possibletosimulateaprocessovertime.
What do we mean by dynamics?

Weusethetermdynamicstodescribemodelingachemicalprocessoverasetperiod oftime.Duringthecourseofarealworldchemicalprocess,factorssuchasutility temperature,feedcomposition,andliquidlevelstendtochange.Modelingthe responseofyourprocesstothesechangescanhelpyouunderstandandpredictwhat mighthappenwithyourprocessovertime. Givenaflowsheet,alengthoftimetorun,andthecalculationintervaltouse, CHEMCADcanreturndetailedresultsthattakeintoaccountthesetypesofchanges. Theprogramcanconsiderthematerialholdupwithinprocessequipmentsuchas tanks,reactors,andpipes.ItalsoenablesyoutomodelcontrolsystemssuchasPID controllers.
Licensing Considerations
Tousethefunctionalitydescribedinthischapter,youmusthaveavalidlicensefor theCCDYNAMICSmoduleofCHEMCAD.Tovieworchangethedispositionof yourCCDYNAMICSproductlicense,seetheCHEMCADLicenseMonitorscreen (Tools>Options>Licensingwhenasimulationisopen,orLicense>Licensing whennosimulationisopen).
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BuildingandUsingaDynamicSimulation
IfyoudontcurrentlyhaveaccesstothedynamicsfeaturesandwanttoaddCC DYNAMICStoyourcopyofCHEMCAD,contactthepersonwithinyour organizationwhohandlessoftwarelicensing,orifappropriate,youcancontact ChemstationsoraCHEMCADdistributordirectly.Foracompletelistof ChemstationscontactsandCHEMCADdistributorsforallpartsoftheglobe,seeour website(www.chemstations.com/contact.htm).
Additional Input for Dynamic Operation

Beforeyoucreateadynamicsimulation,youllneedtogathertherelevant informationaboutyourUnitOpsandstreams,asyouwouldwithanysimulation.In addition,youneedtobeabletoanswerthefollowingdynamicsspecificquestions: Howlongwillthesimulationrun? Whatwillbetheinterval(deltatime/stepsize)betweencalculations? Whatisthechangethatyouwanttostudyovertime? Ifapplicable,whatistheinitialcompositionandchargeofanydynamic vesselsorbatchreactors?
Thebasicstepsforadynamicsimulationarelargelythesameasthosefora steadystatesimulation,withafewvitaldifferences: 1. Createanewsimulation. 2. Selectengineeringunits. 3. Drawtheflowsheet. 4. Selectcomponents. 5. Selectthermodynamicsoptions. 6. Specifyfeedstreamsandinitialstreamconditions. 7. SetspecificationsforUnitOps. 8. Runthesimulationinsteadystatetoobtaintimezerovalues. 9. Switchthesimulationtodynamics. 10. Specifydynamicssettings,suchasruntimeandinitialcharge(s). 11. Runthesimulationindynamics. 12. Reviewtheresults. 13. Rerunorextendthesimulationasneeded. 14. Generateplotsandreportsasneeded. Beforeyoustartworkingonadynamicsimulation,itsimportanttohaveas muchinformationaboutyourprocessaspossible,aclearideaofwhatyouwantto findout,andastrategyforproducingtheresultsyouneed.
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Strategies for Dynamic Simulations

Whenyoustartplanningadynamicsimulation,itsvitalthatyouknowwhat questionorquestionsyouaretryingtoanswer.Togetuseful,informativeresults, youshouldstartwithasimplequestionandthenrefinethesimulationandrunit again. Forexample,todiscoverhowheataffectsavesselstemperatureovertime,you mightstartbyapplyingconstantheattothevesselforthedurationofyourdynamic simulation.Youcanthensaveacopyofthatsimulation,changeittousevariable heat,andreviewtheresultstoseehowtheydifferfromtheoriginal.Basedonthat secondsimulation,youcanmakeanothercopy,andthistimetryvariableheatwitha controlsystemtoattempttomaintainaconsistenttemperature.Eachofthese dynamicsimulationswouldbringyouclosertowhatyouactuallywanttodiscover. Eachsubsequentsimulationrequiresmoreinformationfromyoutorunandreturn theresultsyouwant. Whilethereisnorequirementthatyouapproachdynamicsproblemsthisway, itsasoundpracticethatwillsaveyoutimeandfrustrationinthelongrun.
Setting Up Dynamic Operation

Beforeyoucanrunadynamicsimulation,youneedtoprovideparameterssuchas runtimeandstepsize.First,however,youmustactivateCHEMCADsdynamics mode.
Switching to Dynamics
Followthesestepstoswitchasimulationfromsteadystatetodynamicoperation: 1. OpenthesimulationandselectRun>Convergence.Thisbringsupthe ConvergenceParametersdialogbox. 2. Inthelowerrightportionofthedialogbox,clickintheSteady State/DynamicsfieldandselectDynamics.
Figure 7-01: Switching to dynamics
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3. ClickOKtosavethechangesandclosethedialogbox. Afteryouswitchtodynamics,youllnoticethatafewthingshavechangedon theCHEMCADscreen: ThestatusbaratthebottomofthemainCHEMCADwindowchanges.Afew inchesfromtherightedgeofthescreen,insteadofthewordsSteadyState, youllnowseeDTimeandatimecounterdisplayingthenumberofminutes yoursimulationhasrun.Beforeyourunthesimulation,theDTimesetting displays0:00min. ThesteadystateRunAllbuttononthetoolbarisdisabled,andthedynamics buttonsarenowactivated.Thesebuttons,showninFigure702,are(leftto right)SetRunTime,ResettoInitialState,RunDynamicSimulation,Plot DynStreams,andPlotDynUnitOps.
Figure 7-02: Toolbar buttons for dynamics
YoucannowselectRun>DynamicstobringuptheDynamicsMenu.This windowprovidesconvenientaccesstoalldynamicssettingsandcommands.
Figure 7-03: The Dynamics Menu
Setting the Run Time

Thenextstepistosettheruntimeforthesimulation.Firstdecidewhetheryourrun willrequireasinglestepormultiplesteps. AstepinthiscasereferstoatimeperiodduringwhichCHEMCADwillcapture datafromthesimulationatuniformintervals.Forexample,youmightsetupa singlestepdynamicrunof60minutes,withastepsizeofoneminute,foratotalof 60datapointsfortherun.Ifthisisallthatyouneedtodo,yourruncanbe accomplishedinasinglestep. If,ontheotherhand,youneedtorunyourprocessfor60minutescapturingdata atoneminuteintervals,andthenswitchtocapturingdataevery30secondsforthe next20minutes,youllneedtousetwosteps.Ifyouwanttorecorddataeveryfive minutesforthefirsthour,everyminuteforthesecondhour,andevery30seconds forthethirdhour,youllneedtousethreesteps.
Thestepsizethatyouselectwillhaveanimpactontheaccuracyoftheresults andthespeedofthecalculation.Smallertimestepsproducemorepreciseresults,but alsorequiremoretimetomaketherun.Smallerisntalwaysbetter,however,as extremelysmalltimestepscanleadtosignificantroundofferror. Onceyouknowhowmanystepsyouneedtouseandwhatyourdatacapture intervalwillbeforeachstep,followthesestepstosettheruntimeparameters: 1. ClickSetRunTimeontheDynamicsMenu,orclicktheSetRunTime buttononthetoolbar.ThisbringsuptheDynamicRunTimeScheduledialog box.
Figure 7-04: The General tab on the Dynamic Run Time Schedule dialog box
2. OntheGeneraltab,setthenumberofoperationstepsyouplantouse,or leavethedefaultsettingof1.Themaximumnumberofstepsthatyoucan specifyis10.

Note:Whenyouinitiallysetupdynamicsforasimulation,theCurrenttimedisplay
fieldonthistabwillbeempty.Afterthesimulationhasrun,thisfielddisplaysthe totaltimeofacompletedrunorthecurrenttimeofaninterruptedrun. 3. NowclicktheStep1tabandspecifytheparametersforthisportionofthe dynamicrun.EnterthetotaltimeforthisdynamicstepintheRuntimefield, andtheintervalinminutesintheStepsizefield.
Figure 7-05: The Step 1 tab on the Dynamic Run Time Schedule dialog box
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4. Ifyouhaveotherstepstospecify,clickeachtabinturnandentertheRun timeandStepsizeinformation. 5. Whenyouhavespecifiedallsteps,clickOKtoreturntothemain CHEMCADwindow. TheDynamicRunTimeScheduledialogboxalsoallowsforconditionsother thantimetodeterminethedurationofadynamicoperationstep.Ifyouselect StreamorEquipmentinsteadofthedefaultTimeoption,youcanspecifyastream orUnitOpparameterthatwilltriggertheendofthisstep,ifthatparameteris reachedbeforethestepsruntimeisup.
Selecting Streams and UnitOps

Nowthatyouhavespecifiedhowlongyourdynamicprocesswillrun,youneedto tellCHEMCADwhatstreamandUnitOpdatatorecordduringtherun. 1. IftheDynamicsMenuisnotalreadyopen,selectRun>Dynamicstoopenit, thenclicktheRecordStreamsbutton. 2. IntheRecordStreamsdialogbox,dooneofthefollowing: ChecktheSelectstreamsfromflowsheetbox,clickOK,andthenusethe mousetoaddstreamstotheSelectStreamsdialogbox. TypethenamesofstreamsyouwanttorecordintheIDboxes.
Figure 7-06: The Record Streams dialog box
3. Whenyouhaveselectedallthestreamsyouwanttorecord,clickOKto returntotheDynamicsMenu. 4. NowclicktheRecordUnitOpsbutton.IntheRecordUnitOpsdialogbox, selectUnitOpsinthesamewaythatyouselectedstreamsinstep2. 5. ClickOKtoreturntotheDynamicsMenu.
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Note:InboththeRecordStreamsandRecordUnitOpsdialogboxes,youcanusethe
RunTimePlotcheckboxestoincludeselecteditemsinarealtimeplot.Selecting itemsforruntimeplottingleadstoanotherdialogbox(eitherDynamicStreamPlot OptionsorDynamicEquipmentPlotOptions),whereyoucanselectplotspecificsfor eachstreamorUnitOp.Itisrecommendedthatyouuseruntimeplottingin moderation,astoomanystreamsandUnitOpscanbecomevisuallyconfusingand slowdowncalculationsconsiderably.
Running a Dynamic Simulation

Nowthatyouhavesettheruntimeandrecordingparameters,youcanrunthe simulation.WhenyourunadynamicsimulationinCHEMCAD,acalculationofthe entireflowsheetrunsforeachstepinthetimerangethatyouselect. Indynamicsmode,youhavethreeoptionsforrunningasimulation:runfrom thesimulationsinitialstate,runfromthesimulationscurrentstate,oradvancethe simulationonetimeintervalatatimemanually.
Note:Atanypointduringadynamicrun,youcanpressthe[ESC]keyonyour
keyboardtostoptherunafterthecurrentcalculation.Whenyoudothis,youwillsee aPrograminterruptedmessage.ClickOKtoclosethemessagebox,andtheneither inspectyourrunresultsorselectaruncommandtocontinue.
Run from Initial State

Thisoptionresetstheflowsheettoitsinitialconditionsandbeginsthedynamic simulation.Whenyourunasimulationthisway,allresultsfromprevious simulationsarediscarded. Tousethisoption,useeithertheRunfromInitialStatebuttonontheDynamics MenuortheRunDynamicSimulationbuttonontheCHEMCADtoolbar.
Run from Current State

Whenyouusethisoption,thedynamicrunbeginsfromthecurrentconditions. Thoseconditionsmightbetheinitialstateoftheflowsheet,theendofaprevious run,orthemiddleofaninterruptedrun.Selectingthisoptioncontinuesthe simulationfromthecurrentstate,i.e.,fromthelastcalculatedresult. Youcanusethisoptiononlywhensomecalculationsremaintoberun.This meansthatunlessyouhaveinterruptedtherunusing[ESC]orthestepbystep methoddescribedinthenextsection,youmustscheduleoneormoreadditional stepsusingtheDynamicRunTimeSchedulebeforecontinuing. UsetheRunfromCurrentStatebuttonontheDynamicsMenutorunthe simulationstartingfromcurrentconditions.
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Run One Step at a Time

Ifyouwanttogetadetailedviewofyourdynamicrunasitunfolds,youcanchoose torunoneintervalatatime.Withthisoption,thedynamicrunwillstopaftereach discretetimestep.Torunthenexttimestep,youwillneedtousetheRunDynamic SimulationtoolbarbuttonortheRunfromCurrentStatebuttonontheDynamics Menu. Tousethisframebyframeapproachtodynamics,selectRun>Convergence andthenchecktheboxcalledRunonetimestepfordynamicsimulation.ClickOK toconfirmthischange.Toturnoffthisfeature,returntotheConvergence Parametersdialogboxtoclearthischeckbox.
Figure 7-07: Convergence Parameters setting to run one step at a time
Other Dynamic Commands

Inadditiontotheoptionsfordynamicrunsetupanddynamiccommands,the DynamicsMenuofferstwootheritems:ResettoInitialStateandSaveasInitial State.
Reset to Initial State

Inadynamicsimulation,youcanchangestreamandUnitOpspecificationsonly whenthedynamictimeissettozero.Duringorafterarun,ifyouattempttoeditthe specificationdialogboxforaUnitOp,youwillfindtheOKbuttondisabledanda messageinstructingyoutorestorethesimulationtoitsinitialstate.
Figure 7-08: A UnitOp specification dialog box during a dynamic run
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Toreturnthesimulationtoitsinitialstatealsoknownastimezeroclickthe ResettoInitialStatebuttonontheDynamicsMenu,orusetheResettoInitialState buttononthemainCHEMCADtoolbar.

Note:Anadvancedfeaturetoallowspecificationeditingatanytimeisavailable,but
shouldbeusedwithextremecautiontoavoidconfusionandunintendedresults. ThisfeatureiscontrolledbyacheckboxontheConvergenceParametersdialogbox.
Save As Initial State

TheSaveasInitialStatecommandsetsthecurrentconditionsofthedynamicrunas thenewinitialstate.Itdiscardsallparametersfromthepreviousinitialstate,and makesitimpossibletorecoverthepreviousinitialstatedata. Anexampleofadynamicruncanillustratetheusefulnessofthiscommand. Supposethatyourunasimulationforfiveminutesandthetemperatureinavessel increasesfrom50Cto70C.Youdecidethat70Cisabetterstartingpointforthis vessel,andyouwanttocapturealloftheothervaluesthatcorrespondtothat temperatureinthisvessel.Youcanachievethisbysavingthecurrentconditionsas theinitialstate. Todothis,clicktheSaveasInitialStatebuttonontheDynamicsMenu.Youwill seeamessagewarningyouthatyouwilllosetheoriginalstateconditionsifyou continue.Ifyouarepreparedtodothis,clickYes.Forourexample,thiswouldmean losingthefirstfiveminutesofyourpreviousrun,alongwiththe50Cstarting temperatureforthevessel. Afteryousaveanewinitialstate,theRunfromInitialStateandResettoInitial Statecommandsbothreferenceyournewinitialstatesettings.
Output from Dynamic Simulations

Theresultsfromdynamicsimulationsaremarkedlydifferentfromthoseproduced bysteadystatesimulations,primarilyinthattheyrecorddatatrendsovertime insteadofastaticsnapshotofafixedprocess.Withdynamicsimulations, comparisonsofslightlydifferentprocessspecifications,andofthesameprocessat differentpointsduringarun,canbeveryuseful. Forthisreason,youmayfindthatgraphicalreportsprovidethemostuseful informationwhenyoureworkingwithdynamicsimulations.CHEMCADprovides aseriesofdynamicsplottingoptionstomeetthisneed;youcanalsogenerate varioustextbasedreports,andviewcalculatedflowsheetvaluesatanypointduring adynamicrunorafteraruniscomplete.
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Reviewing the Flowsheet Specifications

Asnapshotofflowsheetvaluesfromadynamicrundoesntprovideasmuchvalue asitwouldforasteadystaterun,butitcancomeinhandyinmanysituations. Afterrunningadynamicsimulation,youcanviewthedatabehindany flowsheetstreamorUnitOptoseetheeffectsoftheruncalculations.Doubleclick anystreamorUnitOpontheflowsheettoreviewitsendofrunvalues. Youcanalsostoptoreviewflowsheetdatainthemiddleofarun,eitherbyusing theRunonetimestepfordynamicsimulationoptionorbypressing[ESC]topause arun.Oncetherunhasstopped,youcandoubleclickanystreamorUnitOpto reviewitscurrentvalues.
Plotting Dynamic Results

YoucanplottheresultsofdynamicsimulationsusingeitherthePlotmenuorthe dynamicsbuttonsonthemainCHEMCADtoolbar. Dynamicplotsdisplayselectedvaluesovertime.Thefollowingdynamicplots areavailable: BatchReactor/DVSLHistory:Thisplotdisplaysselectedvaluesforabatch reactorordynamicvessel,includingcompositionofthevesselcontentsover time.Thedialogboxusedtogeneratethisplotisuserfriendlyandfocuseson themostcommonlyusedvariablesforthesetypesofequipment. DynamicColumnHistory:Thisplotdisplaysselectedvaluesforadynamic column,includingcompositionoftrays,distillate,andbottoms. DynamicUnitOpHistory:ThisplotdisplaysselectedUnitOpparameters fromanyrecordedUnitOp.YoucanalsogeneratethisreportusingthePlot DynUnitOpstoolbarbutton. StreamHistory:Thisplotdisplaysselectedstreampropertiesfromany recordedstream.YoucanalsogeneratethisreportusingthePlotDyn Streamstoolbarbutton.
Note:FortheStreamHistoryandDynamicUnitOpHistoryplots,besuretorecord
thestreamsandUnitOpsthatyouwanttostudy.Youcanonlyrequesttheseplots forrecordedstreamsorUnitOps.
Text-based Dynamic Reports

Basedonthegraphicalresultsofyourdynamicsimulationrun,youmaydecideto makechangestoyourprocess,runparameters,orboth,andthenrerunthe simulation.Whenyouhavefinetunedyoursimulationandobtainedsatisfactory results,youcanviewthoseresultsintextformaswellasgraphicalform,foramore detailedlookatexactvalues.
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Toaccesstextbaseddynamicreports,selectReport>Dynamicsandthenselect oneofthefollowingreports: DynamicColumnHistory:Thisreportprovidesdynamiccolumnresultsfor aselectedcolumn.ThePrintReportOptionsdialogboxoffersthemost relevantitemsfordynamiccolumnreporting. DynamicStreamHistory:Thisreportprovidesstreamhistoriesforaspecific streamthatyouselect,basedontheintervalthatyouspecifyandincluding thecompositions,components,andstreampropertiesthatyouselect. DynamicUnitOpHistory:Thisreportprovidesdetailedinformationabouta dynamicUnitOpinthesimulation,basedontheintervalthatyouspecifyand includingtheUnitOpparametersthatyouselect.
Note:FortheDynamicStreamHistoryandDynamicUnitOpHistoryreports,besure
torecordthestreamsandUnitOpsthatyouwanttostudy.Youcanonlyrequest thesereportsforrecordedstreamsorUnitOps.
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Chapter 8
Output and Reports
OneofCHEMCADsgreateststrengthsisitscapacitytoprovidedetailed, customizedinformationaboutequipment,streams,andprocesses.Youcancreate customreportsfromsimulations,specsheetsforUnitOps,anddataboxesforprocess flowdiagrams,andyoucanplotorprintanyoftheseitemsinthemostappropriate format.
Text Reports
CHEMCADcanproduceawidearrayofcustomizabletextbasedsimulationreports, basedonstreamdata,UnitOpdata,flowsheetdata,ordynamics.Youcanalsouse CHEMCADspowerfulReportWriterfeaturetoproducecustomizedconsolidated reportsincorporatinganycombinationofavailabletextreports.
Report Output Setup

Beforeyourun,view,orprintreports,youshouldcheckthesettingsthatdetermine whichprogramsCHEMCADwillusetodisplayandprintyourreports. Forindividualtextreports,youcanuseCHEMCADsdefaultinternalreport viewer,orelecttodisplayreportsusingMSWordPadorExcel.Toswitchtooneof theseoptionalprogramsforreportviewing,selectTools>Options>Preferences, thenclickReportViewerinthePreferencesdialogbox. Here,youcandesignateapathtoMSWord(usedbytheinternalreportviewer) orWordPad,andspecifythedefaultreportdestination.ClickOKtoreturntothe mainCHEMCADworkspace.
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OutputandReports
Inadditiontoindividualreports,youcancreateconsolidatedreports,whichare customizablecombinationsofdifferentindividualreports.Foranygiven consolidatedreport,youcanusethedestinationoptionyouvesetupinthe Preferencesdialogbox,orchangetoanyviableoutputformat:CHEMCADsinternal reportviewer,MSWord,WordPad,orExcel. Tochooseadefaultprogramforconsolidatedreportoutput,selectReport> FormatConsolidatedReport.OntheFormattab,chooseanoptioninthe Destinationdropdownlist.ClickOKtoapplyyourchange.Notethatyouwillhave theoptiontooverridethisdefaultdestinationforanygivenconsolidatedreportthat youcreate.
Stream-based Reports
AnumberofCHEMCADreportsareavailabletoanalyzestreamdatafroma simulation.Toaccessanyofthefollowingreports,selecttheappropriateitemfrom theReportmenu.Theresultswilldisplayaccordingtothewayyouhaveconfigured CHEMCADtohandletextreports.
Note:Bydefault,thesereportswillusetheengineeringunitsyouselectedwhen
buildingthesimulation.Youcan,however,usedifferentflowrateunitswhen runningreports.Tochangeflowrateunitsforreporting,selectReport>SetFlow Units.IntheViewFlowRateUnitdialogbox,selecttheunitsyouwanttouseand thenclickOK.Thenexttimeyourunstreamcompositionorpropertyreports,the unitsthatyouveselectedherewillbethedefaultsetting;youcanchangetheflow rateunitsasoftenasneeded.
Stream Groups
Forstreamcompositionandpropertyreports,youcancreatecustomstreamgroups withinasimulationtostreamlineyourreportrequests. Forexample,ifyouhaveaprocessthatinvolvestendifferentfeedstreams,and youfrequentlyrunreportsonthisgroupofstreams,youcansetupagroup consistingofjustthosestreams.Then,wheneveryouwanttoobtaincompositionor propertydataforthosestreams,yourejustafewclicksawayanytimethesimulation isopen.
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ThequickestwaytosetupanygroupistousetheCHEMCADExplorer.Follow thesestepstocreateastreamgroup: 1. IntheCHEMCADExplorerpane,findthetoplevelitemcalledGroups.Click theplussignnexttoGroupstoexpandthisitem.
Figure 8-01: Expanding the Groups item in CHEMCAD Explorer
2. NowclicktheStreamsitemunderGroups,tobringuptheNewGroup dialogbox.Replacethedefaultname(suchasGroup1)withadescriptive nameforyourgroup,thenclickOK.
Figure 8-02: Naming the new stream group
3. IntheEditStreamGroupdialogbox,selectthestreamsforthisgroup,either bytypinginthestreamnumbers(oneperline)orbyclickingonstreamsin theflowsheet.ClickOKtoclosethedialogbox. 4. Assoonasyoufinishcreatingthegroup,itsnameappearsunderStreamsin theCHEMCADExplorer.Fromhere,youcanrightclickthegroupnameand selectanyofthefollowing: View/Edit:OpentheEditStreamGroupdialogbox,whereyoucanadd ordeletestreamnumberstoincludeinthegroup. Rename:OpentheRenameGroupdialogbox,whereyoucantypeanew nameforthestreamgroup.
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Copy:OpentheCopyGroupdialogbox,whereyoucantypeanew groupnametomakeanexactcopyofthestreamgroup.Afteryouclick OK,youcantheneditthenewcopyofthegrouptofityourneeds. Delete:Removethisstreamgroupfromthesimulation.Ifyouresure aboutdeletingthegroup,clickYesinthedialogboxthatappears. Composition:Runaninstantstreamcompositionreportforthestreams inthegroup. Properties:Runaninstantstreampropertiesreportforthestreamsinthe group.
Figure 8-03: Right-click menu options for custom stream group
Note:Thecommandstocreate,edit,andremovestreamgroupsarealsoofferedon
theReportmenu,underbothStreamCompositionsandStreamProperties.
Stream Compositions
Youcanrunastreamcompositionreportbasedonallstreams,oryoucanspecify whichstreamstoinclude.Torunastreamcompositionreport,selectReport> StreamCompositionsandthenselectfromthefollowingoptions: SelectStreams:ChoosethestreamsyouwanttoincludeintheSelectStreams dialogbox,eitherbytypinginthestreamnumbers(oneperline)orby clickingonstreamsintheflowsheet.ClickOKtoclosethedialogboxand displaythereport. AllStreams:Thisreportdisplaysallstreamcompositiondatafortheentire flowsheet.
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FeedStreams:Thisreportdisplaysstreamcompositiondataonlyforstreams issuingfromaFeediconontheflowsheet. ProductStreams:Thisreportdisplaysstreamcompositiondataonlyfor streamsterminatinginaProducticonontheflowsheet. UnitStreams:Thisreportdisplaysallinletandoutletstreamcomposition dataforaspecifiedUnitOpontheflowsheet.IfnoUnitOpiconisselected whenyourunthereport,youllseetheSelectUnitOpsdialogbox;typethe UnitOpIDorclicktheUnitOpontheflowsheetandthenclickOKtodisplay thedata.IfyouselectaUnitOpiconbeforerunningthereport,thedatawill displaywithoutfurtherinput.
Youcanquicklydisplaystreamcompositionforasinglestreamatanytime, simplybyrightclickingthestreamintheflowsheetandselectingView Composition.
Stream Properties
Beforerunningreportsonstreamproperties,youllneedtospecifywhichproperties toinclude.Todothis,selectReport>StreamProperties>SelectProperties.This openstheViewPropertyOptionsdialogbox,whereyoucanreviewwhich propertiesarecurrentlyselected. Ifyouwanttoaddanyproperties,checktheappropriateboxes;toremove properties,clickoncheckedboxestoclearthem.BesuretoclickthePage2taband makeanyappropriatechangesthereaswell.Whenyouarefinished,clickOKto returntothemainCHEMCADwindow. Torunastreampropertiesreportforthepropertiesyouvespecified,select Report>StreamPropertiesandthenselectfromthefollowingoptions: SelectStreams:ChoosethestreamsyouwanttoincludeintheSelectStreams dialogbox,eitherbytypinginthestreamnumbers(oneperline)orby clickingonstreamsintheflowsheet.ClickOKtoclosethedialogboxand displaythereport. AllStreams:Thisreportdisplaysallstreampropertydatafortheentire flowsheet. FeedStreams:Thisreportdisplaysstreampropertydataonlyforstreams issuingfromaFeediconontheflowsheet. ProductStreams:Thisreportdisplaysstreampropertydataonlyforstreams terminatinginaProducticonontheflowsheet. UnitStreams:Thisreportdisplaysallinletandoutletstreampropertydata foraspecifiedUnitOpontheflowsheet.IfnoUnitOpiconisselectedwhen yourunthereport,youllseetheSelectUnitOpsdialogbox;typetheUnitOp IDorclicktheUnitOpontheflowsheetandthenclickOKtodisplaythe
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data.IfyouselectaUnitOpiconbeforerunningthereport,thedatawill displaywithoutfurtherinput. Youcanquicklydisplaystreampropertiesforasinglestreamatanytime,simply byrightclickingthestreamintheflowsheetandselectingViewProperties.
Particle Size Distribution

Foraparticlesizedistributionreport,selectReport>ParticleSizeDistribution.In theSelectStreamsdialogbox,chooseoneormorestreamsforwhichaparticlesize distributionexists(oneperline),eitherbytypinginstreamnumbers(oneperline)or byclickingonstreamsintheflowsheet.ClickOKtodisplaythereport.
Pseudocomponent Curves
Foratextreportonpseudocomponentcurves(alsoknownasdistillationcurves), selectReport>PseudocomponentCurves.Selectoneormorestreamscontaining hydrocarbons,eitherbytypinginstreamnumbers(oneperline)orbyclickingon streamsintheflowsheet.ClickOKtodisplaythereport.
UnitOp-based Reports
CHEMCADcanalsorunreportstoanalyzeUnitOpdata.Toaccessthesereports, selecttheappropriateitemfromtheReportmenu.Theresultswilldisplayineither WordPadorExcel,dependingonhowyouveconfiguredCHEMCADtohandletext reports.
UnitOp Groups
FortheUnitOpsreport,youcancreatecustomUnitOpgroupswithinasimulation. Muchliketheirstreambasedcounterparts,UnitOpgroupscansaveyoutimeand effortwhenrequestingreports;inaddition,youcanusethesegroupswhenrunning yoursimulation,toisolateandrunonlyselectedUnitOpsfordiagnosticorother reasons.
Note:BecauseofthisotherfunctionalityofUnitOpgroups,theorderinwhichyou
listUnitOpIDswhensettingupthesegroupsisimportant. ThequickestwaytosetupanygroupistousetheCHEMCADExplorer.Follow thesestepstocreateaUnitOpgroup: 1. IntheCHEMCADExplorerpane,underGroups,clicktheUnitOpsitem. ThisbringsuptheNewGroupdialogbox. 2. Replacethedefaultname(suchasGroup1)withadescriptivenameforyour UnitOpgroupandthenclickOK.
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Figure 8-04: Naming the new UnitOp group
3. IntheEditUnitOpSequenceGroupdialogbox,selecttheUnitOpsforthis group,eitherbytypingintheUnitOpIDs(oneperline)orbyclickingon UnitOpiconsintheflowsheet.AddUnitOpsintheordertheyruninthe simulation.ClickOKtoclosethedialogbox. Assoonasyoufinishcreatingthegroup,itsnameappearsunderUnitOpsinthe CHEMCADExplorer.Fromhere,youcanrightclickthegroupnameandselectany ofthefollowing: View/Edit:OpentheEditUnitOpSequenceGroupdialogbox,whereyou canaddordeleteUnitOpsorreordertheexistinglist. Rename:OpentheRenameGroupdialogbox,whereyoucantypeanew nameforthegroup. Copy:OpentheCopyGroupdialogbox,whereyoucantypeanewgroup nametomakeanexactcopyoftheUnitOpgroup.AfteryouclickOK,you cantheneditthenewcopyofthegrouptofityourneeds. Delete:RemovethisUnitOpgroupfromthesimulation.Ifyouresureabout deletingthegroup,clickYesinthedialogboxthatappears. Run:RunthesimulationonlyforthoseUnitOpsincludedinthisgroup. View:DisplayasummaryreportoftheUnitOpsincludedinthisgroup. Specifications:BringuptheUnitOpspecificationdialogboxesforeachitem intheUnitOpgroup,startingwiththefirstUnitOplisted.
Note:Thecommandstoadd,edit,andremoveUnitOpgroupsarealsoofferedonthe
ReportmenuunderUnitOps.
Select UnitOps
TorunareportthatcoversjusttheUnitOpsyouspecify,selectReport>UnitOps> SelectUnitOps.IntheSelectUnitOpsdialogbox,specifytheUnitOpsyouwantto includeinthereport,eitherbytypingintheUnitOpIDs(oneperline)orbyclicking onUnitOpsintheflowsheet.ClickOKtoclosethedialogboxanddisplaythereport. IfyouselectaUnitOpiconbeforerunningthereport,thedatawilldisplay withoutfurtherinput.
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Spec Sheet
TheSpecSheetcommandexportsdetailedinformationaboutaUnitOpintoa preformattedExcelworksheet.Thisreportisusefulfortaskssuchassolicitinga manufacturingquoteforapieceofequipment. TocreateaspecsheetforallUnitOpsontheflowsheet,selectReport>Spec Sheet>AllUnits. TocreateaspecsheetonlyforspecificUnitOps,selectReport>SpecSheet> SelectUnit.ChoosetheUnitOpsyouwanttoincludeintheSelectUnitOps dialogbox,eitherbytypingintheUnitOpIDs(oneperline)orbyclickingon UnitOpiconsintheflowsheet.ClickOKtoclosethedialogboxanddisplay thespecsheet. ForasingleUnitOpspecsheet,youcanselecttheUnitOpiconbefore runningthereport;Excelwillopenandthedatawilldisplaywithoutfurther input.
Note:ForspecsheetsthatincludemultipleUnitOps,CHEMCADcreatesaseparate
worksheetforeachUnitOpsdatawithintheExcelfilethatCHEMCADcreates.
Distillation
Torunadistillationreport,selectReport>Distillationandthenselectoneofthe following: ColumnProfiles:Generatesareportdetailingtemperature,pressure,and flowrateforadistillationcolumn TrayCompositions:Createsareportthatshowsthevaporflowrate,liquid flowrate,andKvalueofeachcomponentoneachstageofadistillation column TrayProperties:Reportsoncurrentlyselectedstreampropertiesforeach stageofadistillationcolumn TowerMassTransfer(SCDS):ForanSCDSdistillationcolumnthatusesa masstransfermodel,providesmasstransfercoefficients,heightoftransfer units,andestimatedheightoftheoreticalplates(HETP) DynamicColumnHistory:Providesdatafromasingledynamicrunofa column(describedindetailinChapter7,BuildingandUsingaDynamic Simulation) ColumnDiagnosis:Forcolumnsthathavenotsuccessfullyconverged, providesrecommendationsforchangingcolumnsettingstoachieve convergence
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Flowsheet-based Reports
InadditiontoreportsthatfocusonparticularUnitOpsandstreams,CHEMCAD offerstextreportsthatprovideinformationaboutthesimulationasawhole.To accessanyofthesereports,selecttheappropriateitemfromtheReportmenu.
Topology
ThisreportprovidesalistingofallUnitOpsintheflowsheet,aswellasallstream originsanddestinations.
Thermodynamics
Thisreportlistsallcomponentsusedinthesimulationandprovidesvital informationaboutthethermodynamicsmethodsused.
Mass and Energy Balances

Inadditiontomassandenergybalances,thisreportgivestheorderinwhich UnitOpsarecalculated,calculationmodesused,andinformationaboutrecycle loops,cutstreams,andconvergence.
Dynamics Reports
TheReportmenuprovidesaccesstotheBatchResultsandDynamicscommands, whichprovidereportsaboutnonsteadystateprocesses.
Batch Results
Thisreportsummarizestheresultsofabatchdistillationcolumnsimulationatthe endofeachoperatingstep.
Dynamics
YoucanaccessthreedifferentreportsbyselectingReport>Dynamics:Dynamic ColumnHistory,DynamicStreamHistory,andDynamicUnitOpHistory.These reportsaredescribedindetailinChapter7,BuildingandUsingaDynamicSimulation.
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Consolidated Reports and the CHEMCAD Report Writer

Youcanrunanycombinationofthetextbasedreportsdescribedaboveasasingle operation,byselectingReport>ConsolidatedReport.ThisbringsuptheReport Writerdialogbox.
Figure 8-05: The CHEMCAD Report Writer
Fromhere,youcanclickGeneratetobringupadefaultconsolidatedreportthat includestopology,convergence,massandenergybalances,andtheotherreports listedinthedialogboxsleftcolumn.Ifthisreportisadequatetoyourneeds,simply clickCancelaftergeneratingtheconsolidatedreport,toclosetheReportWriter dialogbox. Ifyouwantsomethingotherthanthedefaultconsolidatedreport,youcanalso usetheReportWritertocustomizewhichindividualreportstoinclude,whatorder toputthemin,whichflowsheetelementstoinclude,andmuchmore.Youcanfine tuneyourreportsettingswithoutclosingthisdialogbox,andthensaveyourreport configurationwithanewnamesothatyoucanrunitagaininthefuture.
Choosing and Ordering Report Sections

TocustomizeyourConsolidatedReport,firstdecidewhichreportsectionsyouwant toinclude.TheCurrentReportSectionsarealistsitemsintheordertheywillappear whenyouruntheConsolidatedReport. Ifyourwishlistofreportsectionslookslargelylikethedefaultlistshownin Figure805,youcanbeginwiththatlistandmakesomechanges;ifnot,youcanstart withablankslateandbuildyourConsolidatedReportonereportsectionatatime.
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Youcandoanyofthefollowingtoaltertheexistingsectionlist: AddasectionbydoubleclickinganyitemintheAddNewReportSection areaoftheFormattab.Thenewitemappearsattheendofthereportlist. RemoveasectionbyselectingitintheCurrentReportSectionslistandthen clickingDelete. MoveasectiontoadifferentpositionwithintheConsolidatedReportby selectingitintheCurrentReportSectionslistandthenclickingtheUpor Downbuttonasneeded.
Ifyouprefertobuildthesectionlistyourself,youshouldaccesstheReport WriterbyselectingReport>NewfromtheCHEMCADtoolbar.Thisbringsupthe ReportWriterscreenwithablankleftcolumn,readyforyoutoaddjustthereport sectionsthatyouwantinwhateverorderyouchoose.
Selecting Flowsheet Elements

ToselectflowsheetelementsforinclusioninaConsolidatedReport,clicktheSelect Streams&UnitOpstabwithintheReportWriter.Thistab,liketheFormattab,is visibleonlywhenConsolidatedReportisselectedintheleftcolumnoftheReport Writerscreen. Initially,theSelectStreamsandSelectUnitOpscheckboxesonthistabare empty,andtheAllStreamsandAllUnitOpscheckboxesarecheckedanddisabled. ToexcludestreamsorUnitOpsfromyourreport,checktheappropriateboxat thetopofthetab;thisenablestheotheroptions.YoucanclickSelectFrom FlowsheettoselectstreamsorUnitOpsusingyourmouse,orcleartheAllStreams orAllUnitOpsboxtoaccessoptionsforselectingflowsheetitemsbytypesoruser createdgroups.
Formatting Report Sections

CertainreportsectionsthatyoucanincludeinaConsolidatedReporthave formattingoptionsthatyoucanchangebeforerunningthereport.Theseoptions include: ForUnitOps,asectionspecificUnitOpsselectiontabandtheoptiontolimit thenumberofcolumnsforExcelreportoutput ForStreamProperties,asectionspecificstreamselectiontabandtheoption tochangethedefaultlistofstreampropertiestoincludeinthereport ForStreamComposition,asectionspecificstreamselectiontab,theoptionto changethedefaultflowoptions,andalternativesettingsforcompositiondata formatandprecision ForParticleSizeDistribution,asectionspecificstreamselectiontab
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ForTrayProfile,asectionspecificUnitOpselectiontabandanoptionto changethedefaultflowunits ForHeatCurves,asectionspecificUnitOpselectiontabandtheoptionto chooseacuttingmethodandnumberofcutpoints
Naming the Report and Choosing a Destination

WhenyoufinishcustomizingaConsolidatedReportparticularlyifyouvedonea significantamountofcustomization,orifyoususpectyoullwanttorunthesame reportparametersagainyoushouldconsidersavingthereportforfutureuse. Todothis,firstgivethereportadistinctivenameusingtheReportNamefield. ThisfieldisvisibleintherightportionoftheReportWriterdialogboxwhenyou clickthetoplevelitemunderCurrentReportSections. NotethatConsolidatedReportisthedefaultreportname;whenyoutypeanew nameasinFigure806,boththetoplevelitemontheleftandthetitleovertheright portionofthedialogboxchangetoreflectthereportname.
Figure 8-06: Results of typing a new name into the Report Name field
Onceyouhavenamedthereport,youcanclickSavetosavethereportlocally (thatis,onlyforthissimulation),orclickSaveAstosavethereportunderMy Simulations\MyReports\GlobalReports.SavingintheGlobalReportsdirectory makesthereportavailabletoanysimulationyoumayopeninthefuture.
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Togenerateareportthatyouhavesavedlocally,selectReport>Simulation Reports;selectthereportbynameandclickGenerateReport.Otheroptionshereare EdittoopenthereportintheReportWriter,Exporttocopyittoagloballocation,or Deletetoremoveitfromthemenu.
Figure 8-07: Generating a report that has been saved locally
Notethattogenerateoraccessagloballysavedreport,youcanselectReport> Global/PoolReports.
Graphical Reports
Inadditiontotextbasedreports,CHEMCADoffersawidevarietyofgraphicalplots thatyoucanviewonscreenorprintforreview.
Thermophysical Data Graphs

CHEMCADoffersanumberofgraphicalreportsthatrelatespecificallytothe selectedcomponentsandthermodynamicsoptions.Toaccessanyoftheseplots, selecttheappropriateitemfromthePlotmenu.
TPXY
Thisselectiongeneratesvaporliquidequilibriumcurvesbetweenanytwo components,withanoptionalthirdcomponent.YoucanincludeTPXY,TXY,activity coefficient,andfugacitycoefficientcurves.
Binary LLE
Thisselectiongeneratesliquidliquidequilibriumcurvesbetweenanytwo components.
Binodal Plot
Thisselectiongeneratesaternaryphasediagramshowingthedistributionofthree selectedcomponentsintwoliquidphases,includingtielinesandplaitpoint.
Binodal/Residue Curves
Thisselectioncreatesaplotthatcombinesthecurvesfromabinodalplotanda residuecurveplot.Thisisusefulwhenworkingwithheterogeneousazeotropic distillation.
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Residue Curves
Thisselectiongeneratesandplotsagraphicaldisplayofdistillationzones, azeotropes,andresiduecurvesassociatedwithauserspecifiedternarymixture.
Solid/Liquid Equilibrium
Thisselectiongeneratessolidliquidequilibriumcurvesbetweenanytwo components.
Flowsheet-based Graphs
Toviewgraphicalreportsthatreflectyouroverallsimulation,selectoneofthe followingfromthePlotmenu: StreamProperties:Plotsoneselectedstreampropertyforaselectedstreamin theflowsheet PhaseEnvelopes:Plotsaphaseenvelopeforagivenstream,highlightingthe criticalpointofthemixture;canincludeplotsatvaporfractionsotherthan0 (bubblepointcurve)and1(dewpointcurve) CompositeCurves:Plotscompositeheatcurvesfortheentireflowsheet,as wellasoptionalheatcurvesforindividualUnitOps PseudocomponentCurves:Displaysaplotofoneormoredistillationcurves forastream
UnitOp-based Plots
CHEMCADoffersseveralplotsthatdisplaydataforasingleUnitOp.Toaccessany oftheseplots,selectPlot>UnitOpPlotsandthenselectoneofthefollowing options.
Column Profiles
Thisselectionplotscompositions,temperature,andflowprofilesfordistillation columns.
Heat Curves
Thisselectionplotsheatingandcoolingcurvesforaselectedheatexchanger.
Plug Flow Reactor Profile

Thisselectionplotsthetemperatureorcompositionprofilesalongtheaxiallengthof akineticplugflowreactor.
Pipe Profile
ThisselectionplotsfluidpropertiesforpipeUnitOpsalongtheaxiallengthofthe pipe.Thisplotrequiresthatthepipecontainmultiplesegments.
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Controller Convergence
Forcontrollersthathavenotconverged,thisplotenablesyoutodiagnosethe controllerbehaviorthatispreventingconvergence.Theplotshowshowthe controllererrorfunctionchangeswithiteration.
Dynamic Plots
CHEMCADoffersaseriesofplotsforusewithdynamicoperations.SelectPlot> DynamicPlotstoaccessanyofsixgraphicaldynamicsreports. TheseplotsaredescribedindetailinChapter7,BuildingandUsingaDynamic Simulation.
User-specified File
IfyouhavecustomizedCHEMCADusingVBA,C++,orotherprogramming languages,youcansaveplotdataintoatextfileandusethisfeaturetodisplaythat dataasacurve. SelectPlot>UserSpecifiedFiletobringupamessageboxthatprovides instructionsonhowtoformatthetextfile.ClickOKtocontinuetoanOpendialog box,whereyoucanselectthetextfileyouwanttouse.WhenyouclickOpen,the curveisplottedanddisplayed.
Printing CHEMCAD Reports

YoucanprintanytextreportfromwithinCHEMCADsinternalreportviewer,or fromwithinanotherprogramthatyouhaveselectedtoviewreports. IfareportisdisplayedinaCHEMCADtab,youcanselectFile>Printtobring upthestandardPrintdialogbox,whereyoucanchooseadifferentprinter,selecta pagerange,orspecifythenumberofcopiestoprint.ForashortcuttothePrint dialogbox,clickthePrintbuttoninthetoolbar. Ifyouvesetupanotherprogramasyourreportdestination,simplybringupthe PrintdialogboxinWord,WordPad,orExcelbyselectingFile>Print.Eachofthese programsalsooffersaPrintbuttononthetoolbarforyourconvenience. Forgraphicalreports,youcanprintdirectlyfromCHEMCAD,justasyouwould printatextreport.Plotsaresetuptoprintinlandscape(horizontal)orientation,as thisisthebestfitforthehorizontalplotlayout.
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Process Flow Diagrams

CHEMCADprovideseasytousetoolsforcreatingprintedprocessflowdiagrams. Youcanaddvarioustypesofdataboxestoaccompanyyourflowsheet,andthen selectivelyviewandprintgroupsofitems,includingdataboxes.
Flowsheet Databoxes
CHEMCADoffersfourtypesofdataboxes: StreamBox:Liststhestreamsthatyouselectinasingletable,alongwiththe streampropertiesthatyouchoosetoinclude UnitOpBox:GeneratesaseparatedataboxforeachselectedUnitOp TPBox:Generatesseparatesummarydataboxesforselectedstreams ExcelRangeBox:ReferencesarangeofcellsfromanExcelworksheet
Stream Boxes
Tocreateastreamdatabox,startbyselectingFormat>AddStreamBox.Fromthe SelectStreamsdialogbox,followthesesteps: 1. Determinewhichstreamstoincludeinthedatabox,usingoneofthree methods: ChecktheAllstreamsboxtoincludeallstreamsonyourflowsheet,then clickOK. Typethenumbersofthestreamsyouwanttoincludeintotheboxes provided(onenumberperline),thenclickOK. Choosethestreamsyouwanttoincludebyclickingtheactualstream lineswithyourprimarymousebutton.Streamnumbersthatyouselect willappearintheSelectStreamsdialogbox;totoggleaselectedstream off,justclickitagain.Whenyouveselectedallthestreamsyouwant, clickOKtocontinue.
2. AnyoftheseselectionmethodswillbringyoutotheDataboxProperty Optionsdialogbox.Here,youcanselectwhichstreampropertiesyouwant toincludeonthestreamdatabox.Youcankeepthedefaultsettings,orturn anycheckboxonorofftocustomizeyourdatabox.

Note:Theselectionsyoumakeherewillbethedefaultselectionsthenexttimeyou
createastreamdataboxforthissimulation. InadditiontothemainGeneraltab,notetheCrude/Solidtab,whichyoucan clicktoselectcrudeoilstreampropertiesorsolidstreamproperties.When youveselectedthestreampropertiesyouwant,clickOKtocontinue.
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3. IntheDataboxSettingsdialogbox,youcanchoosewhethertoinclude horizontallinesorhorizontalsectiondividersinthedatabox.ClickOKto placethedataboxonyourworkspace. Aswithflowsheetelements,youcanmove,stretch,orresizeadataboxusing yourmouse.
UnitOp Boxes
TheprocedureforcreatingUnitOpdataboxesissimilartothatusedtocreatestream databoxes,withthechiefdifferencebeingthatthereisnoselectionofUnitOp properties. BeginbyselectingFormat>AddUnitOpBox,andtheneithertypeinUnitOp IDsorclickUnitOpsontheflowsheet.Notethatyoudonthavetheoptionof automaticallyincludingallUnitOps,asyoudidwithstreams;toincludeallUnitOps inthedatabox,clickablankareaoftheflowsheetandthenpress[CTRLA]toaddall UnitOpIDstothelist. WhenyoucompleteyourselectionsandclickOK,theDataboxSettingsdialog boxappears,withthesameformattingoptionsthatareavailableforstream databoxes.Changeanysettingsyouwanthere,andthenclickOKtoplacethe requesteddataboxesonyourworkspace. Unlikeastreamdatabox,whichdisplaysdataformultipleitemsinasinglebox,a UnitOpdataboxdisplaysdataonlyforasingleUnitOp.Ifyouselectedthree UnitOpsintheUnitOpIDsdialogbox,youllseethreeseparatedataboxesappear whenyouclickOK.Ifyouseeonlyonedataboxatfirst,trymovingthatboxto anotherpartofthescreentoseeiftheothersarehiddenbehindit.
TP Boxes
CHEMCADcancreatedataboxes,calledTPboxes,whichdisplayanycombinationof temperature,pressure,andflowrateforallstreamsorselectedstreamsona flowsheet. ToaddTPdataboxes,selectFormat>AddTPBox.IntheTPBoxSettingsdialog box,firstselectanoptionatthetop,todeterminewhethertoaddTPboxesforall streamsoronlyforthestreamsyouselect. IntheDisplaycolumn,selectitemsfromthedropdownlistineachfieldto determinewhichstreampropertiestodisplayandinwhatorder.UseNoselection asappropriateifyouwanttodisplayfewerthanfourproperties. IntheNumberformatcolumn,makeaselectionineachfieldtodeterminehow numberswilldisplayintheTPboxes.IntheDigitscolumn,typethenumberof digitstodisplayafterthedecimalpoint.Youcanalsochoosewhethertodisplay streamIDsandengineeringunits.
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ThePreviewboxdisplaysadynamicsampleofhowtheitemsyouveselected willappearintheTPboxes. WhenyoufinishmakingyourselectionsintheTPBoxSettingsdialogbox,click OK.IfyouvechosentomakeTPboxesforallstreams,theTPboxeswillappearon theflowsheetrightaway.Ifyouveoptedtoselectthestreamsfromtheflowsheet, youllseeaSelectStreamsdialogbox;typethestreamnumbers(oneperline)orclick onthestreamlinesintheflowsheettoselectstreams,andthenclickOKtocreatethe TPboxes.
Figure 8-08: TP boxes added to a simple flowsheet
Excel Range Boxes

AnExcelrangeboxdisplaysdynamicdatafromaspecifiedcellrangeinaspecified Excelworksheet.TocreateanExcelrangebox,followthesesteps: 1. StartbyselectingFormat>AddExcelRange.ThisbringsuptheExcel DataboxSettingsdialogbox. 2. ClickBrowsetonavigatetothefolderwheretheExcelworkbookresides, thenhighlightthenameoftheworkbookyouwantandclickOpen. 3. IntheWorksheetnamefield,typethenameoftherelevantworksheetwithin theworkbookthatyouveindicated. 4. Inthecenterportionofthedialogbox,specifythestartingandending columnandrowcoordinatesthatyouwanttoreferencewithintheselected worksheet. 5. Inthelowerportionofthedialogbox,changeanyformattingsettingsas desiredandthenclickOKtocreatethedatabox. AnExcelrangeboxisadynamiclinkbetweenCHEMCADandtheExcel worksheet.Asdataisupdatedandsavedintheselectedcellrange,therangeboxcan automaticallyupdatetoreflectthosechanges.Toviewthemostuptodatedatain yourExcelrangeboxesatanytime,selectView>RefreshDataBoxes.
OutputandReports
Using the Layers Feature for Selective Viewing and Printing

WhenyoucreateasimulationinCHEMCAD,youcanbuildyourflowsheetacrossa hugeworkspace,zoominginandoutasneededtoworkwithspecificareasofthe flowsheet.Youcanalso,asdescribedabove,addanynumberofdataboxesto provideaquickvisualreferenceforthedatabehindyourflowsheetobjects.Youcan addtextlabels,drawcirclesarounditemsthatyouneedtoworkonfurtherin short,therespracticallynoendtothevisualclutterthatcouldenduponyour processflowdiagram.Butalloftheseelementsareusefultosomeone,andyou certainlydontwanttospendyourtimerepeatedlyaddingorremovingvisual elementsbeforeprintingorsharingaPFD. CHEMCADssolutiontovisualelementoverloadisafeaturecalledLayers.A layerisagroupofobjectsinasimulationfileanycombinationofdataboxes,drawn shapes,textlabels,streams,andUnitOpsthatyoucanvieworhidewithasingle click.Youdefineexactlywhichobjectsbelongtoalayer,andthentoggleeachlayer eitheron(visible)oroff(hidden)usingtheCHEMCADExplorerpane.
Note:Turningoffalayerdoesnothingbeyondhidingtheassociatedobjectsfrom
view.HavingalayerhiddenevenifthatlayerincludesstreamsandUnitOps doesnotinanywayaffectthewaythesimulationrunsoranystreamorUnitOp properties.
Scenarios for Using Layers

Thefollowingareexamplesofsituationsinwhichyoucanuselayerstoenhance yourprocessflowdiagrams: Severaldifferentdepartmentsneedtoreviewyourprocessflowdiagram,but eachdepartmentwantstoseedifferentdatahighlightedindataboxes.You cancreateonesetofTPboxeslistingonlyflowrates,forexample,andthen assignthemalltoalayer;thenhidethatlayerandcreateanewsetofTP boxeslistingtemperatureandpressureonly.Assignthesedataboxestotheir ownlayer,hideit,andcontinuewithstreamboxes,UnitOpboxes,or whateverotheritemsyouneed.Createasmanydifferentlayersasyoulike, andeachtimeyougotoprintthediagram,viewonlythelayersthatyou wanttoprint. Youneedtoemailasimulationtodifferentrecipientswhowanttoview differentdataboxes.Createsetsofdataboxesassignedtomultiplelayers,and thenviewjustthelayersthatyouwantyourfirstrecipienttoseeupon openingthefile.Saveandclosethesimulationbeforeattachingittoanemail message.Openthesimulationagainforthenextrecipient,selectthelayers youwantthatpersontosee,savethefile,andattachittoanotheremail message.
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Youhaveaverylargeflowsheetthatencompassesanumberofdiscrete processes.Youcancreateseparatelayersforvariousportionsoftheoverall flowsheet,andviewonlytheportionsyoureworkingwithatagiventime. Youcanalsohideunneededportionsoftheflowsheetforprinting. Ifyouaretroubleshootingaprocess,orforwhateverreasonneedtomark upaprocessflowdiagram,youcandrawshapessuchasellipsesor rectanglesaroundcertainUnitOpsorgroupsofUnitOps,usingtextorbright colorstodrawextraattention.Thenassignallofthesemarkupitemstoa singlelayersothatyoucanchoosetovieweitherthemarkedupversionor thecleanversionoftheflowsheetatanytime.
Creating a New layer

Bydefault,allobjectsareassignedtoamasterlayer,whichisalwaysvisible.Before youcanassignobjectstoanotherlayer,youmustfirstcreateanewlayertouse.The mostconvenientwaytocreatealayeriswithintheCHEMCADExplorerpane. IntheCHEMCADExplorer,findthetoplevelitemcalledLayers,rightclickit, andselectNew.
Figure 8-09: Creating a new layer
IntheNewLayerdialogbox,replacethedefaultlayernamewithadescriptive nameofyourownandthenclickOK.
Figure 8-10: Naming the new layer
ThenewlayernowappearsundertheLayersiteminCHEMCADExplorer.If necessary,clicktheplussignnexttoLayerstoviewthelayername.Youcanaddas manylayersasyoulikeandviewthecompletelisthere.

OutputandReports
Whenalayerisfirstcreated,itisvisiblebydefault.Alayersstatusasvisibleor hiddenisindicatedinCHEMCADExplorerbytheiconthatdisplaysnexttoits name.Avisiblelayershowsagreencheckmark,whileahiddenlayerisgrayin color.
Figure 8-11: Visible and hidden layers as they appear in CHEMCAD Explorer
Assigning Objects to a Layer

Nowthatyouhavelayers,youcanassignitemstothem.Startbyclickinganobject tohighlightit;thismightbeanythingfromastreamIDlabeltoaUnitOptoaTP box.Whatevertypeofobjectitis,whenyouhighlightityoullseethefourblack boxesthatdefineitsouteredges.Withtheobjectselected,rightclickthenameofthe desiredlayerintheCHEMCADExplorerandchooseAddSelected. Tosavetime,youcanaddmultipleobjectstoalayeratonce.Justholddownthe [SHIFT]keyasyouclickeachobjectinturn,thenrightclickthelayernameand chooseAddSelected.
Note:Ifyoulike,youcanassignoneormoreobjectstoalayeratthesametimeyou
createthelayer.Todothis,simplyclickthedesiredobject(usethe[SHIFT]click methodformultipleobjects),thenrightclickLayers,selectNew,andassignthe layeraname.Theselectedobjectsareautomaticallyassignedtothenewlayer.
Hiding and Viewing Layers

Assoonasyouveaddedatleastoneobjecttoalayer,youcantestthelayerby hidingitandwatchingwhathappens.Tohidealayer,simplyclickthelayersname, orthegreencheckmarkediconnexttoitsname;theiconshouldchangetograyand allitemsassignedtothelayershoulddisappearfromview.
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Atanytime,youcanhideorvieweachlayerinyoursimulationindependently. TheiconsnexttothelayernamesintheCHEMCADExplorerprovideaconstant reminderofwhichlayers,ifany,arecurrentlyhiddenfromview. Eachtimeyouopenasimulationfile,CHEMCADdisplaysorhidesitslayers accordingtothewaytheyweresetthelasttimeyousavedthesimulation.

Note:Itispossibleforanobjecttobeassignedtomorethanonelayer.Ifanobjectis
assignedtotwoormorelayers,however,itwillbedisplayedunlessallofits associatedlayersarehidden.
Removing an Object from a Layer

Ifyounolongerwantaspecificobjectorgroupofobjectstobeassignedtoagiven layer,youcanremovetheassignmentaseasilyasyoucreatedit. Firstensurethatthelayerinquestionisvisible.Thenselectalltheobjectsthat youwanttoremovefromthelayer,rightclickthelayernameinCHEMCAD Explorer,andchooseRemoveSelected.Nowwhenyouhidethelayer,theobjector objectsyouremovedshouldremaininview.
Deleting an Entire Layer

Ifforanyreasonyouwanttoremovealayerfromyourlist,simplyrightclickthe layersnameinCHEMCADExplorerandselectDelete.Thelayerdisappearsfrom thelist,andifthelayerwashiddenwhenyoudeletedit,theitemsassignedtoitnow reappear.
Printing a Process Flow Diagram

WhenyouusethePrintcommandonthemainCHEMCADscreen,theresultisa verbatimreproductionofyourvisibleworkspace. Ifyourezoomedcloseintooneportionofyourflowsheetwhenyouprint,youll getacloseupprintoutthatdoesnotincludetherestoftheflowsheet.Ifyouve hiddenallofyourdataboxestokeepthemoutofyourwaywhileyoufixaproblem, thosedataboxeswillnotappearontheprintout.IfthePalettepaneiscoveringupthe productstreamscomingfromoneofyourUnitOps,thoseproductstreamswontbe ontheprintouteither. Forthisreason,thefirstthingyoushoulddowhenyourereadytoprinta processflowdiagramistodecidewhatneedstobeincludedontheprintout.Ifyou needtheentireflowsheettoappearontheprinteddiagram,selectView>Zoom Options>ZoomtoFit,orzoommanuallyifyouprefer.Youmaywanttohideor unpinoneormorepanesaswell,togiveyourselfmoreworkspacewhileyou preparetoprint. Next,considerwhetheryourprocessflowdiagramshoulddisplayajobbox, UnitOporstreamdataboxes,textnotes,orotheritemsinadditiontotheflowsheet
OutputandReports
itself.Ifyouhavealreadycreatedtheneededitems,makesurethattheyare currentlyvisibleandplacedwhereyouwantthem. Whenalloftheitemsyouwanttoprintarevisible,checkoncemoretoensure thateverythingfallswithintheCHEMCADworkspace.ThenselectFile>Print,or clickthePrintbuttononthetoolbar.ThisbringsupthePrintSetupdialogbox, whereyoucanselectprintingoptionsorsimplyclickOKtoprinttheprocessflow diagram.
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Customizing CHEMCAD
AsyoubecomemorefamiliarwiththewaythatCHEMCADworksandthevarious optionsandtoolsthatareavailable,youmayfindyourselfwishingthatyoucould makeyourownadditionseitherforspecializeditemsorforthoseyouuse frequently.YoucaninfactcustomizeCHEMCADinseveralwaysthatsaveyoutime bystreamliningandsimplifyingyourworkflow.Theseinclude: CreatingstreamandUnitOptemplates AddingcustomcomponentstoCHEMCADscomponentdatabase MakingyourownsymbolsandaddingthemtotheUnitOpspalette BuildingcustomUnitOps CreatingcustomdialogboxesforUnitOpsettings Definingcustomthermophysicalrules
Thischapterdiscussesallofthesetypesofcustomization,startingwiththe simplestproceduresandthenmovingontomorecomplexcustomizationsthat requiresomeprogrammingexperience.
Flowsheet Templates
OneofthemosteffectivewaystosavetimewhencreatingCHEMCADsimulations istomakeuseofstreamandUnitOptemplates.Atemplateissimplyasetof characteristics,whichyouassignanameandsaveforlateruse.Whenyousetup streamorUnitOpspecificationsthatyouknowyoullneedtorecreateinthefuture, youcancreateatemplateofthatstreamorUnitOp.Youcanthenduplicatethatitem withinthesamesimulationorinanyothersimulationwithjustafewmouse clicks.
CustomizingCHEMCAD
Creating a Template
Tocreateastreamtemplate,firstcreatethestreamyouwanttocloneandgiveitall ofthecharacteristicsyouwanttoincludeinthetemplate. ThenfindthisstreamontheCHEMCADExplorersSimulationtab.Expandthe Flowsheetitem,thenexpandtheStreamitem,andfinallydoubleclickthe applicablestreamID.ThisbringsupanitemcalledSave.Doubleclicktheword SavetobringuptheEnterTemplateNamedialogbox,thentypeanameforyour newstreamtemplateandclickOK.Thenewstreamnameisnowlistedbeneaththe Saveitem. TocreateaUnitOptemplate,selecttheappropriateUnitOpIDinCHEMCAD Explorer,andthenfollowthesameprocedureusedtocreateastreamtemplate.
Viewing a Templates Properties

Toseewhatspecificationsanexistingtemplateincludes,lookitupinthe CHEMCADExplorer.ExpandtheTemplatesitem,thenexpandtheUnitOpsitem, andfinallyexpandthenameoftherelevantUnitOptype.Forexample,ifyoure lookingupatemplatethatyoucreatedforatypeofpumpthatyoufrequentlyuse, expandthePumpitemintheCHEMCADExplorer. Whenyoufindyourtemplate,simplyclickthetemplatenametoopenits specificationsdialogbox.
Applying a Template
Toapplyastreamtemplate,firstexpandtheCHEMCADExploreritemforthe streaminquestion,eitherbyclickingtheplussigntoitsleftorbydoubleclickingthe streamname. Whenthestreamitemisexpanded,youllseetheSaveitembelowit,followedby thenamesofallthestreamtemplatesthatyouhavecreated.Doubleclickthename ofthetemplateyouwanttouse,thenclickOKtoconfirmthatyouwanttoapply thisstreamtemplate.
Renaming or Deleting a Template

Torenameatemplate,simplyfinditunderTemplatesinCHEMCADExplorer, rightclickthetemplatename,andselectRename.TypethenewnameandclickOK. ThischangesthetemplatenamethroughoutCHEMCADExplorer. Theprocedurefordeletingatemplateissimilartorenamingatemplate.Again, findthetemplateyouwantunderTemplates,rightclickitsname,andselectDelete. ClickOKtoconfirmthatyouwanttodeletethistemplate.Thetemplatename disappearsfromCHEMCADExplorer,butstreamsorUnitOpsthatwerespecified usingthetemplatearenotaffectedinanyway.
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Note:AnystreamorUnitOptemplatethatyoucreateisavailableforusewithall
othersimulationsonthesameinstallationofCHEMCAD,untilandunlessyou deletethetemplate.
Creating Custom Components

TheCHEMCADcomponentdatabaseplacesdetailedinformationaboutthousands ofchemicalsatyourfingertips.Ifforanyreasonyoufindthatyouneedtousea chemicalcomponentthatdoesnotmatchanyitemcurrentlyintheCHEMCAD database,youcancreateyourowncomponentforusewithyoursimulations. Youcancreateasinglecomponent,definearangeofpseudocomponents,or importacomponentsphysicalpropertiesfromanexternalsource.Theseprocedures havesimilaraims,butdiffersignificantlyfromoneanother.
Adding a Single Component

CreatingapurecomponentintheCHEMCADcomponentdatabaseisatwopart task.Youmustfirstcreatethecomponentandthenregressdataintothecomponent.
Creating the Component

Tocreateanewcustomcomponent,youcanuseanyoffivedifferentestimation methods: Createahydrocarbonpseudocomponent.Thisistreatedlikeapure componentinthatcertainaspectsofhowitbehavesorreactsareknown. UsetheJoback/Lydersenmethod.Withthismethodyouindicatebasic characteristics,andselectmoleculargroups(knownasJobackgroups,called GroupAssignmentsinCHEMCAD)fromalist,toindicatehowmanyofeach moleculargrouparepresentinthecomponent. UsetheUNIFACmethod.ThismethodissimilartoJoback/Lydersen,except thatthegrouplistismorespecializedtowardorganiccomponents. Createacombustionsolid.Thismethodisusedtosimulatesolid componentsforwhichanelementalanalysisandheatingvalueareknown, e.g.,coal. Createanelectrolytecomponent.Thismethodcreatesacomponentthatyou cansubsequentlyuseinanelectrolytesimulation.
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Theprocedureforcreatingapurecomponentisasfollows: 1. SelectThermophysical>ComponentDatabase>CreateNewComponent. ThisbringsuptheNewComponentdialogbox.
Figure 9-01: The New Component dialog box
2. Givethenewcomponentadescriptivename;itisstronglyrecommendedthat youmakethisnameunique.Allothercharacteristicshereareoptional,except fornormalboilingpoint,whichisrequiredforthepseudocomponent method. 3. SelectaCorrelationoptiontoindicatewhichoftheabovemethodsyouwill use,andclickOKtocontinue. 4. ThedialogboxthatappearsnextdependsontheCorrelationthatyou selected:

PseudocomponentbringsuptheHydrocarbonCorrelationdialogbox. GroupcontributionJobackbringsuptheGroupAssignmentsdialogbox. GroupcontributionUNIFACbringsuptheNewComponentUNIFAC Groupsdialogbox. CombustionsolidbringsuptheCombustionSoliddialogbox. ElectrolytebringsuptheElectrolyteDatadialogbox.
Selecttheappropriateoptionsforyournewcomponentandspecifyasmany characteristicsasyoulike,asaccuratelyaspossible.ClickOKtocontinue. 5. IntheSelectDestinationDatabasedialogbox,youwillseenodatabaseslisted ifthisisyourfirsttimetoaddacomponent.Ifthisisthecase,clickNewto bringuptheManageComponentDatabasesdialogbox.
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Figure 9-02: The Manage Component Databases dialog box
6. Normally,youllneedtoclickCreate,whichbringsuptheSaveAsdialog box.Navigatetothelocationyouwantforyourcustomcomponentdatabase, givethedatabaseaname,andclickSave.Ifyouwanttoaddadatabasethat someoneelsehascreated(generallyinanetworklocation),youcanclick Connect,whichbringsupanOpendialogbox;navigatetothatdatabases location,highlightthedatabase,andclickOpen. 7. TheManageComponentDatabasesdialogboxnowliststhedatabasethat youcreatedorselected.ClickOKtocontinue. 8. IntheSelectDestinationDatabasedialogbox,thenewdatabaseyouhavejust namedisnowlisted;highlightitandclickOK. 9. TheView/EditComponentDatamenunowappears.Clickanyitemonthe menutoaccessadialogboxwithoptionsfordefiningyournewcomponent. Afterdefiningasmanycharacteristicsaspossible,clickExittoclosethe menu. Thenewcomponentisnowavailabletoaddtoyourcurrentsimulationandall futuresimulations.Toreturnatanytimetomakechangestoauserdefined component,dooneofthefollowing: SelectThermophysical>ComponentDatabase>View/EditDatabase ComponenttobringuptheSelectSingleComponentdialogbox,whichlists allavailablecomponents.Highlightthecomponentyouwantinthelistand clickOKtobringuptheView/EditComponentDatamenu. ClickComponentListonthetoolbar(orselectThermophysical> ComponentDatabase>View/EditSimulationComponent)tobringupthe listofcomponentsinthecurrentsimulation.Doubleclickthecomponentyou wantinthelisttobringuptheView/EditComponentDatamenu.
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Regressing Data into the Component

Dataregressionistheprocessoffittingexperimentaldatapointstoapolynomial equationform,sothattheindividualerrorofeachdatapointisminimized. Dataregressionisonlyrelevanttotemperaturedependentpropertiessuchas heatcapacity,density,andvaporpressure.CHEMCADusesthesepolynomial equationfitstocalculatethepropertiesofacomponentatanygiventemperature. Toregressdataintoacomponentthatyouhavecreated,followthesesteps: 1. SelectThermophysical>ComponentDatabase>ComponentProperty Regression.ThisbringsuptheSelectRegressionDataSetdialogbox.
Figure 9-03: The Select Regression Data Set dialog box
2. SelecttheuseraddedcomponentthatyouwanttoregressandclickNew. ThisbringsuptheEditRegressionSetdialogbox.
Figure 9-04: The Edit Regression Set dialog box
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3. Selectaregressiontypeandprovideadescriptivenameforthedata regression,thenclickOK.Thisbringsupadialogboxthatdisplays parametersfortheselectedregressiontype. 4. Verifythedataonthisdialogbox,makingadditionsorchangesasnecessary, andthenclickOK.Thisbringsupadialogboxfordataentry. 5. Enteryourexperientialdatapointsinthecellsprovided.Youcanentera valueintheWeight_factorcolumntoweighttheregressiontowardoneor moredatapoints.Whenyouhaveenteredallofyourdatapoints,clickOK.

Note:YoucanpasteacontiguousrangeofcellsfromanExcelworksheetintothe
cellsinthisdialogbox. 6. TheregressiondataisdisplayedinatabinthemainCHEMCADwindow. Anothertabdisplaystheregressionresultsingraphicalformat.Reviewthe dataandplot,anddecidewhethertheregressionadequatelyrepresentsyour experimentaldata. 7. Adialogboxappears,askinghowyouwouldlikethechangestobeapplied toexistingsimulations.ChooseanoptionandthenclickOK. 8. Repeatthisprocedureasneededtoregressotherpropertiesforyour component.
Pseudocomponent Range
Usingapseudocomponentcurveanothertermforthedistillationcurveportionofan assayyoucancutahydrocarbonstreamintopseudocomponents,orfractions.A pseudocomponentrepresentsagroupofcomponentsthatboilwithinanarrow temperaturerange.PseudocomponentrangesareusedinCHEMCADtomodel hydrocarbons. Whenyoudefineapseudocomponentrangeforastream,CHEMCADcreates entriesinthecomponentdatabaseforeachhydrocarboncut,andassignsthese componentscompositionstothestream.
Note:Beforeyoudefineapseudocomponentrange,makesurethatyouhave
specifiedinyourcomponentlist,asappropriate,waterandanylightendsthatexist intheassay. 1. SelectThermophysical>PseudocomponentCurves. 2. IntheDistCurveCharacterizationdialogbox,enterstreamnumber(s)and clickOK. 3. IntheHydrocarbonCorrelationdialogbox,selecttheappropriate correlationsforyourcurve,orusethedefaultselectionsandclickOK. 4. ThisbringsuptheCurveTemperatureCutRangesdialogbox.Foreachcut rangethatyouwanttodefine,provideabeginningandendingtemperature,

CustomizingCHEMCAD
andenterthenumberofpointsthatyouwanttodefineasdiscrete pseudocomponentswithinthatrange.ClickOKtocontinue. 5. IntheBulkPropertiesdialogbox,specifyadistillationcurvetypeandentera totalflowrateandbulkgravityforthestream.Youcanmakeotherentries hereasneeded,butonlythesethreeitemsarerequired.Notethatifyouhave viscositydatathatyouwanttouse,youmustchecktheViscosityboxhere. ClickOKtocontinue. 6. Intheresultingdialogbox,enterthedistillationcurvefromyourassay, specifyingthevolumepercentageandboilingtemperatureforatleastfive datapoints.ClickOKtocontinue. 7. Thenextdialogboxisoptional.Enteragravitycurvefromyourassay,listing thevolumepercentageandspecificgravityforatleastfivedatapoints.Click OKtocontinue. 8. Thenextdialogboxisalsooptional.Ifyouhavelightendsandwaterdefined inyourassay,entervolumepercentagedatahereforallrelevantcomponents. ClickOKtocontinue. 9. IfyoucheckedtheViscosityboxontheBulkPropertiesdialog,youwillnow seetheViscosityDatadialogbox.EnteryourviscositydataandclickOK. 10. ThisbringsuptheEditDistillationCurvesmenu,showninFigure905.
Figure 9-05: The Edit Distillation Curves menu
11. ClickSaveandExit.Thepseudocomponentpropertiesnowdisplayinatab inthemainCHEMCADwindow.Youcanreviewandprinttheseresults,and leavethetabopenaslongasyoulike.Toreturntothemainworkspaceand yourflowsheet,simplyclickthefarlefttab,whichdisplaysthenameofyour simulation. 12. Toseethelistofpseudocomponentsthatyouhavecreated,editthe propertiesforthestreamyouselected.Thepseudocomponentswillbelisted afterpurecomponents,withnamesthatbeginwithNBP.
Importing a Neutral File

Youcanalsoaddacomponenttothedatabasebyimportingitsphysicalproperties fromanexternaldatasource.Thisprocedureisknownasneutralfileimport. Fordetailedinformationaboutimportingandusinganeutralfile,seethe CHEMCADHelpsystem.
CustomizingCHEMCAD
Creating a Custom Symbol

YoucancreateacustomsymbolinCHEMCAD,forusewitheitherabuiltinUnitOp orauserdefinedUnitOp.ThetoolusedtocreatesymbolsiscalledtheCHEMCAD SymbolEditor. YoucanlaunchtheSymbolEditorineitheroftwoways: WithinCHEMCAD,selectEdit>EditUnitOpSymbols. FromWindows,selectStart>AllPrograms>Chemstations>Utilities> SymbolEditor.
Oncetheeditorisopen,youllseeagriddedworkspaceandasmall,freefloating toolpalette.
Figure 9-06: The Symbol Editors workspace and palette
Youcanbuildasymbolfromthegroundup,butthebestwaytolearntousethis toolistoeditanexistingCHEMCADUnitOpsymbol.Todothat,followthesesteps: 1. SelectFile>OpenfromtheSymbolEditormenu.IntheOpendialogbox, selectafilefromSymbolsdirectoryandclickOpen.Theselectedsymbol opensintheSymbolEditorworkspace,asshowninFigure907.
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Figure 9-07: The pump_1.sym file open in the Symbol Editor workspace
2. SelectFile>SaveAsandsavethefileinadifferentdirectory,usinga distinctivenametoavoidconfusionwiththeoriginalsymbol. 3. UsethetoolsavailableinSymbolEditortochangethesymbolasneeded: Toremoveoralteranyexistingpartofthesymbol,selectStructure> Ungrouptobreakthesymbolintoitsindividualcomponents. Toaddgraphicalcomponentstothesymbol,usethedrawingtoolsonthe toolpalette,suchasRectangleandEllipse. Toaddatextlabeltothesymbol,usetheTexttool. Toaddaninletoroutlet,clicktheappropriateitemonthetoolpalette andthenclicktoplacetheinletoroutletonthesymbol. Tobackoutofachangethatyouvemade,selectEdit>Undoorpress [CTRLZ].
4. Whenyourereadytosavethesymbol,makesurethatyouhavedeletedany unwanteditemsontheworkspace.SelectEdit>SelectAllorpress[CTRLA], andthenselectStructure>Group. 5. SelectFile>Savetosavethechangestoyournewsymbol. Tocreateatotallynewsymbol,simplystartfromablankworkspace,namethe file,andusethevariousdrawingtoolstocreatethedesiredcombinationofshapes andtext.Addinletsandoutletsasneeded,thengroupthesymbolscomponentsand savethefile.
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Onceyouvecreatedyournewsymbol,youneedtoassociateitwithaUnitOp typeandthenadditintotheappropriateUnitOpsubpalette. 1. WithintheSymbolEditorprogram,selectFile>EditUnitOpType.The SelectUnitOperationTypedialogboxappears.
Figure 9-08: The Select Unit Operation Type dialog box
2. SelecttheappropriateUnitOptypeandclickOK. 3. ToassignthenewsymboltoaUnitOppalette,selectFile>Addto CHEMCADPalette. 4. CloseandrestartCHEMCADtoseeyournewsymbolappearonthe specifiedsubpalette.
Customized Costing Calculations

CHEMCADincludessomeverybasiccostingroutinestohelpdeterminethecapital costofequipment.UsingasimplifiedformofCknownastheParserlanguage,you maymodifytheseroutinestobettersuityourneeds.Detailsofthisprocedureare foundintheCHEMCADCalculator/ParserModuleguide,availableonthe Chemstationswebsite.
Creating Custom UnitOps

IfyouneedaUnitOpthatfallsoutsidetherangeofoptionsofferedontheAll UnitOpspalette,youcancreateacustomUnitOp.Thegoalofcreatingacustom UnitOpistohaveaunitwhereyoucanenteryourownequationstocalculateheat andmassbalances.Overtheyears,CHEMCADusershavecreatedcustomUnitOps forpurposesasdiverseasmembraneseparationunits,fuelcells,specializedsolids handlingunits,andcrystallizersfortheseparationofxylenes. FouritemsontheAllUnitOpspalettearededicatedtouserdefinedUnitOps. YoucancreateacustomUnitOpusinganyofthefollowingfourways: ExcelUnitOp:CreatedthroughacombinationoftheCOMinterfaceandtheData Mapinterface Calculator:CreatedusinganinlineCprogram Useraddedmodule:CreatedusingVisualStudiooranotherC++compiler VBAUnitOp:CreatedthroughtheVBAEditor,whichispartofCHEMCAD
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ThebasicproceduresforcreatingcustomExcelUnitOpsarecoveredinChapter 10,DataInterfaces.CalculatorUnitOpsaredefinedbyaprogramminglanguage calledParser,thesyntaxforwhichisdocumentedintheCHEMCADCalculator/Parser Moduleguide,availableontheChemstationswebsite. C++useraddedmodulesaredevelopedusingMicrosoftsVisualC++ developmenttool,thesametoolsthatwereusedinthecreationofCHEMCADsown UnitOps.TheproceduresforcreatingC++useraddedmodulesforusewith CHEMCADaredetailedintheUseraddedModulesGuide,whichisalsoavailableon theChemstationswebsite. VBAUnitOpsaredefinedbyVBAsubroutines,andaredescribedlaterinthis chapter. ThemethodyouchooseisanimportantfirststeptowardcreatingaUnitOp,but thechoiceisalmostentirelyuptoyou.CalculatorUnitOpscanbequickandeasyto setup,buttheycantdoeverythingtheothermethodscan.TheExcel/VisualBasic approachisverypowerfulandusesthefamiliarVisualBasiclanguagefor development.Adrawbacktothismethodisthatcalculationcansometimesbeslow duetotheuseofMicrosoftExceltodothecalculations.Themostpowerfuland fastestcalculatingmethodistheC++useraddedmodulemethod,butifyouarenew toC++,itmaybechallengingtouse.VBAUnitOpsareaspowerfulasthosecreated usingC++,andaremucheasiertobuild. WhichevermethodyouusetoprogramthecalculationsofyourUnitOp,youwill likelyneedtocreateadialogboxtoprovideauserinterface.Adialogboxenables userstosendinformationintoyourUnitOp,forexamplethenumberofstagesfora distillationUnitOp.NomatterwhatmethodyouusetoprogramyourUnitOp,you willusetheDialogEditorprogramtocreatetheuserinterface.
Creating a Custom UnitOp Dialog Box

CHEMCADusesdialogboxestosetvariablesforalltypesofUnitOps.Usingthe DialogEditorprogram,youcancreateacustomdialogboxforusewithanytypeof useraddedunits. YoucanalsoeditanexistingUnitOpsspecificationdialogboxforexampleto addtextnotes,totranslatefromEnglishtoanotherlanguage,ortolimittheUnitOps functionalityalthoughthisisnotcommonlydone. TheDialogEditorprogramenablesyoutocreateandmodifydialogboxes, whicharecontrolledbyfileswiththe.MYextension.Thesefiles,alongwith.MAP filesand.LABfiles,definedialogboxesforuseinCHEMCAD. TousetheDialogEditorprogram,youllneedagoodunderstandingof Windows,alongwithabasicknowledgeofVisualProgrammingconceptssuchas objectsandproperties.Youshouldalsohaveafirmunderstandingofsimulationin CHEMCADbeforeventuringintoDialogEditor.
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TheDialogEditorprogramisseparatefromCHEMCAD.Tolaunchit,select Start>AllPrograms>Chemstations>Utilities>DialogEditor.
Figure 9-09: The Dialog Editor window showing an open dialog
AdetaileddescriptionofhowtousetheDialogEditorisavailableonthe Chemstationswebsite,aswellasontheCHEMCADinstallationCDROM.
Customizing Thermodynamics
Occasionally,youmayfindthatnoneofthethermodynamicmodelsbuiltinto CHEMCADserveyourneedsforaparticularsimulation.Ifthisshouldhappen,you cantakeoneoftwoapproachestohandlingthermodynamicsforthesimulation: eithercreateyourownKvalueorenthalpymodelorcreateyourownmixingrule.
Creating a Custom K-value or Enthalpy Model

TheKvalueforanycomponentisaratiothatreflectstheamountofthatcomponent presentinvaporandliquidphasesundergivenconditions.CHEMCADusesK valuestocalculatevaporliquidequilibriuminstreamsandinUnitOps. Anenthalpymodelcalculatestheheatcontentofasystemundergiven conditions.EnthalpymodelsareusedtocalculatetheheatbalanceinCHEMCAD simulations. IfyouhaveaKvalueorenthalpymethodthatyoudliketouse,youcanwrite C++codetointroduceyourmodelintotheCHEMCADsystem.Adetailed descriptionofhowtocreatecustomKvaluesandenthalpymodelsisavailableinthe UseraddedModulesGuide,whichisavailableontheChemstationswebsiteandon theCHEMCADinstallationCDROM.
CustomizingCHEMCAD
WhenyouvesuccessfullyaddedacustomKvaluemethod,youcanselectiton theKvalueModelstaboftheThermodynamicSettingsdialogbox,byusingthe GlobalKvalueOptionsettingcalledADDK.
Figure 9-10: Selecting the ADDK K-value option
Afteraddingacustomenthalpymodel,youcanselectitontheEnthalpyModels taboftheThermodynamicSettingsdialogbox,byusingtheGlobalEnthalpyOption settingcalledADDH.
Figure 9-11: Selecting the ADDH enthalpy model
Creating a Custom Mixing Rule

AmixingruledetermineshowCHEMCADcalculatesthepropertiesofamixer, basedonthepropertiesofitspurecomponents.Youcancreatecustommixingrules foranyoftheselectionslistedontheTransportPropertiestab,eitherusingVBAas describedinthefollowingsectionorusingC++.
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Visual Basic Applications (VBA)

YoucancustomizeCHEMCADusingVisualBasicApplications,orVBA.The CHEMCADExplorersVisualBasictabprovidesaccesstothefollowingtypesof customizableitems: Reactions Properties UnitOps
IfyouhavewrittencodeinVBAthatyouwouldliketomakeavailablein CHEMCAD,youcaninsertthatcodeintooneofthetemplatesthatCHEMCAD provides,oruseanyofthesetemplatesasastartingpointandlaunchaVBAeditor fromwithinCHEMCAD.
Defining a Reaction, Mixing Rule, or UnitOp

Todefineacustomreaction,mixingrule,orUnitOpusingVBA,followthesesteps: 1. ClicktheVisualBasictabinCHEMCADExplorerandexpandtherelevant item:Reactions,Properties,orUnitOps. 2. DoubleclicktherelevanttemplateitemtoopentheVBAeditor. 3. Copytheexistingsubroutineandpastethecodebelowtheexampleinthe codewindow.Renamethenewsubroutinecopy. 4. Editthenewsubroutineasneededtoachievetheresultthatyouwant. 5. ReturntoCHEMCADbyeitheroftwomethods: Use[ALTTAB]ortheWindowstaskbar,leavingtheVBAeditorwindow open. ClicktheViewCHEMCADbuttonatthefarleftendoftheVBAeditors toolbartoclosetheeditorwindow.
Note:Youcanalsousethe[ALTF11]keycombinationtotogglebetweenCHEMCAD
andtheVBAeditor. 6. SavethecurrentCHEMCADsimulation,thenexpandtherelevant CHEMCADExploreritemagaintoseeyournewlydefinediteminthelist.
Using a VBA-defined Reaction

Onceyouhavedefinedanewreaction,youcanuseitforakineticorbatchreactor: 1. SelecttheBatchReactororKineticReactortoolandplaceareactoriconon theflowsheet.AddandspecifystreamsforthisUnitOpasappropriate. 2. Doubleclicktheicontodefinereactorspecifications.Makethefollowing selectiontouseyourVBAdefinedreaction.
CustomizingCHEMCAD
Batchreactor:Afterspecifyingthereactorsinitialcharge,youllseethe BatchReactorGeneralInformationdialogbox.OntheGeneraltab,select thekineticrateexpressionoptioncalledDefineeachreaction. Kineticreactor:OntheGeneralSpecificationstaboftheKineticReactor dialogbox,selectthekineticrateexpressionoptioncalledDefineeach reaction.
3. Foreachreactionthatyoudefine,youllenterdataintoaKineticDatadialog box.ChoosetheKineticRateExpressionoptioncalledUserVBA.This bringsupadropdownlisttotherightoftheKineticRateExpressionfield, whereyoucanchooseauserdefinedreaction.Selecttheappropriateoption foreachreactionthatyoudefineforthisUnitOp,andthenclickOKto continuetothenextreaction.
Figure 9-12: Selecting a VBA-defined reaction in the Kinetic Data dialog box
4. Whenyouhavedefinedthelastreaction,clickOKtoreturntothemain CHEMCADwindow.
Using a VBA-defined Mixing Rule

Onceyouhavedefinedanewmixingrule,youcanincludeitinyourCHEMCAD simulations: 1. SelectThermophysical>ThermodynamicSettings. 2. IntheThermodynamicSettingsdialogbox,dropdownthelistofoptionsfor themixingrulethatyouusedasatemplateforyournewrule.Selectyour rulefromthelist. 3. ClickOKtoreturntothemainCHEMCADwindow.
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Using a VBA-defined UnitOp

OnceyouhavedefinedanewVBAUnitOp,youcanincludeitinyourCHEMCAD simulations: 1. SelecttheVisualBasicUnitOptoolandplaceaniconontheflowsheet.Add streamsintoandoutoftheUnitOpasyounormallywould. 2. DoubleclicktheicontodefinetheUnitOpsspecifications. 3. IntheVisualBasicUnitOpdialogbox,dropdowntheFunctionlisttoseethe availableVBAUnitOps.SelecttheoneyouwanttouseandclickOK.
Figure 9-13: Selecting a VBA UnitOp
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Chapter 10
Data Interfaces
CHEMCADenablesyoutoexchangedatawithotherprogramsthroughavarietyof methods.Thissavestime,effort,andthepotentialforkeystrokeerroranddata omissions.Insomecases,thesedatainterfacescanenableCHEMCADtolink directlyintoyourplantinformationsystemstorunsimulationswithouthuman intervention. ThedatainterfacesthatCHEMCADusesareasfollows: TheExcelDataMapinterface,whichcanlinkanyvalueinaCHEMCAD simulationtoanycellinanExcelworksheet,orviceversa(notethatrunning CHEMCADsimulationsfromExcelrequiresaCOMinterface,described below) TheVisualBasicApplicationinterface,whichenablesyoutobuildcustom reactions,mixingrules,andUnitOps TheOPCinterface,whichpermitsanyOPCClientapplicationtoaccess valuesinaCHEMCADsimulation COMinterfaces,whichallowanyCOMenabledprogram(suchasMATLAB) toaccessandcontrolaCHEMCADsimulation
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Excel Data Mapping

TheExcelDataMappingfeatureallowsyoutolink,retrieve,andinsertdatafroman ExcelspreadsheetintoaCHEMCADsimulation.Italsoletsyouinsertdatafroma CHEMCADsimulationintoanExcelspreadsheetwithjustafewclicks.The integrationofCHEMCADandExcelisapowerfulandeasytousetoolthatsaves youtimeandwork. WithExcelDataMapping,youcanquicklyandeasilygetthemostof CHEMCAD/Excelintegration,evenifyouhavenoexperiencewithVisualBasicor Excelprogramming.Infact,youcanuseandbenefitfromthisfeatureevenwithvery littleknowledgeoftheExcelprogram. TouseExcelDataMapping,youmustfirstcreateoneormoreDataMaps,and thensetuprulesfortheexecutionofeachDataMapinuse.
Creating an Excel Data Map

ThetoolusedtocreateandeditDataMapsinCHEMCADistheExcelDataMap Editor.ThistooldisplayswithintheCHEMCADworkspace,andresemblesanExcel spreadsheet.IthasallyouneedtolinkstreamandUnitOpparameterstooneor moreExcelspreadsheets.OneachExcelDataMap,youcanlinkupto500 parametersinasinglespreadsheet,andyoucanhaveuptotenDataMapsper simulation. TolinkyoursimulationtoanExcelspreadsheet,firstcreatethetargetExcel workbook,makinganoteofthefilesname,itslocation,andthenameofthespecific worksheettowhichyouwanttolink.Thenfollowthesestepstocreateanewdata map: 1. OntheCHEMCADExplorer,expandtheDataMapsitemandthenclick NewDataMap.AspreadsheetwillopenwithintheCHEMCADworkspace.
Figure 10-01: The Excel Data Map Editor
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2. ClicktheBrowsebuttonandlocatethetargetworkbook.Selecttheworkbook fileandclickOpen. 3. InthecellnexttoExcelWorksheetName,typethenameoftheworksheetto whichyouwanttolinkyoursimulation.

Note:Ifyouneedtoverifythenameoftheworksheet,youcanclicktheOpenbutton
tolaunchExcelandviewtheworkbook. 4. DoubleclickthecellbelowMapRuletoseeadropdownlistofmapping options: ToWorksheetOnlyenablesyoutosenddatafromstreamsorUnitOpsin CHEMCADtotheselectedworksheet. ToCCOnlyenablesyoutosenddatafromanycellontheworksheetto theselectedstreamorUnitOpparameterinyoursimulation. Fordatareconciliationenablesyoutomanipulatethedatausing CHEMCADsDataReconciliationfeature.
Figure 10-02: Selecting a Map Rule option in the Excel Data Map Editor
5. DoubleclickthecellbelowCCObjTypetoseeadropdownlistofmapping options: StreamenablesyoutolinkanExcelcellorcellrangetoastreamonthe flowsheet. UnitOpenablesyoutolinkanExcelcellorcellrangetoaUnitOponthe flowsheet. Miscenablesyoutochangedynamicflowsheetsettings.
6. ClickthecellbelowCCObjID.TypetheIDnumberofthestreamorUnitOp towhichyouwanttolink. 7. DoubleclickthecellbelowParIDtoseeadropdownlistofparametersfor theselectedUnitOporstream.Scrolldownandselectanoptionfromthelist.
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Note:WhenyouareimportingcelldataintoCHEMCAD,thelistofparameter
optionsislimited,asmanyvaluesinaCHEMCADsimulationarecalculatedbased onothervalues. 8. Ifyouchoseaparameterthatisrelatedtoaspecificcomponent(e.g.,Comp Molefraction,oranyitemmarkedwithanarrow),youwillneedtospecifythe component.DoubleclickthecellbelowComponenttoseeadropdownlist ofavailablecomponents.Selectacomponentfromthelist.
Figure 10-03: Component-specific parameters marked with arrows on the Par ID list
9. ClickthecellbelowWrkShtCell/Range.Typethecelladdressorcellrange towhichyouwanttolink.Celladdressesshouldbeformattedwiththe columnletterandrownumber,e.g.,A1orD17.Cellrangesshouldbe formattedastwosuchaddresses(representingtherangesfirstandlast values)separatedbyacolon,e.g.,A1:A12orB5:E20. 10. Ifyouareperformingadatareconciliation,youcanusetheWeightcolumn togivecertainitemsinthereconciliationmoreimportancethanothers. 11. Repeattheprocedureuntilyouhavespecifiedallofthecellsorcellranges thatwilllinktoyoursimulation. 12. SavetheDataMapbyselectingFile>SaveAs.TypeanameforyourData MapandthenclickOK.ThenewlycreatedDataMapnowappearsonthe CHEMCADExplorerundertheDataMapsitem.
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Figure 10-04: List of available Data Maps in CHEMCAD Explorer
13. ToleavetheDataMapopenandreturntoyoursimulation,usethetabsatthe bottomofthemainCHEMCADworkspace.ToclosetheDataMap,select File>Close,orclicktheredXbuttonontheDataMapstab.
Data Map Execution Rules

AfterconfiguringoneormoreExcelDataMapsforasimulation,youmustsetup executionrulestousethem.YoucanconfigureuptotenDataMapfilesper simulation. TosetupDataMapexecutionrules,followthesesteps: 1. OntheCHEMCADExplorer,expandtheDataMapsitemandthenclick ExecutionRules.TheDataMapExecutionRulesdialogboxappears.
Figure 10-05: The dialog box for configuring execution rules
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2. ClickthesquarebuttonnexttothefirstfieldintheSelectDataMapscolumn tobringuptheSelectDataMapdialogbox.
Figure 10-06: Selecting a Data Map from the list
3. SelectthenameoftheDataMapforwhichyouwanttosetrules,andclick OKtoreturntotheDataMapExecutionRulesdialogbox.Repeatthisstep forallotherDataMapswhoserulesyouwanttosetupatthistime. 4. IntheBeforeSimulationRunsfieldnexttoeachselectedDataMap,clickthe dropdownlisttochooseanactionforthatDataMaptoperformbefore calculationsbegin: DoNothingperformsnoactionbeforethesimulationisrun.Youmight usethisoptiontodisableaDataMaptemporarily. ToWorkbooksendstherequesteddatatoExcelbeforerunningthe simulation.Youmightusethisoptionwhenyouwanttopulldatafrom inletstreamsorUnitOpspecifications. ToCHEMCADsendstherequesteddatainExceltoCHEMCADbefore runningthesimulation.Youmightusethisoptionwhenyouwanttofeed datatoinletstreamsorUnitOpswithdatafromtheExcelworksheet.
5. IntheAfterSimulationRunsfieldnexttoeachselectedDataMap,clickthe dropdownlisttochooseanactionforthatDataMaptoperformafter calculationsarecomplete: DoNothingperformsnoactionafteryoursimulationhasrun.Youmight usethisoptiontodisableaDataMaptemporarily. ToWorkbooksendstherequesteddatatoExcelafterrunningthe simulation.Youmightusethisoptionwhenyouwanttosenddatafrom streamsorcalculatedparametersofUnitOpstotheworkbookinExcel.
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Figure 10-07: Three different Data Maps with rules set up
6. WhenyouhaveconfiguredalloftheDataMapsthatyouwanttouse,click OKtosaveyourrulesandclosetheDataMapExecutionRulesdialogbox. Youcannowrunthesimulation.IfyouopentheExcelfilesthatarelinkedtothe simulation,youwillbeabletoseetheparametersofstreamsandUnitOpsrelatedto theExcelDataMap.Youcanalsoperformyourowncalculationsintheworkbook basedonthedatalinkedtoCHEMCAD.
Creating Excel UnitOps

YoucanbuildanExcelspreadsheetthatfunctionsasaUnitOpwithinCHEMCAD. ThisisusefulforextremelysimpleUnitOpssuchasmixersanddividers,orfor simpleseparations. 1. StartbycreatingacustomdialogboxforyournewUnitOp,asdescribedin Chapter9,CustomizingCHEMCAD. 2. Next,createanExcelspreadsheetcontainingyourdesiredcalculationsforthe newUnitOp. 3. Openasimulation,selecttheExcelUnitOptoolontheAllUnitOpspalette, andplaceaUnitOpiconontheworkspace. 4. DrawtheappropriatestreamsintoandoutoftheExcelUnitOp. 5. DoubleclicktheUnitOpicontoopentheExcelWorkBookUnitdialogbox. 6. OntheFilePathstab,usethetopBrowsebuttontospecifythelocationand filenameofthecustomdialogboxthatyoucreated.UsethesecondBrowse buttontospecifythelocationandfilenameoftheExcelworkbook.
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7. NowyouneedtospecifyhowthisspreadsheetwilllinktoCHEMCAD.Click theDataMapstabtolinkthespreadsheetusingoneormoreDataMaps,or clicktheExcelMacrostabtolinkthespreadsheetusingtheCOMinterface. OntheDataMapstab,specifytheexecutionrulesasdescribedearlierin thischapter. OntheExcelMacrostab,specifythenamesoftheExcelmacrosthatyou haveprogrammedtousetheCOMinterface,intheorderthatyouwant themtobecalculated.
8. ClickOKtoreturntothemainCHEMCADwindow.
Specification Sheets
UsingtheinterfacewithMicrosoftExcel,CHEMCADallowsyoutooutput simulationdatatoanExcelspreadsheetresemblingavendorspecificationsheet,as discussedinChapter8,OutputandReports.Customizingthesespecsheetssavesyou timebyoutputtingdataintheformatrequiredbyyourcompanyorvendor. TocustomizethespecsheetforaspecificUnitOptype,editthecorresponding Excelspreadsheetinthefollowingdirectory: C:\ProgramFiles\Chemstations\CHEMCAD\Program\templates IftheUnitOptypeyouwantisnotrepresentedbytheExcelfilesinthisdirectory, youcancopythegenericspecsheet.xlsfileanduseitasatemplateforanewUnitOp spreadsheet. Placethecopyinthesamedirectory,andmakeitsfilenamethestandardfour characterabbreviationfortheUnitOptypeinquestion.Forexample,tocreateaspec sheettemplatefortheFlashUnitOp,youwouldneedtonamethefilecopyflas.xls. SeetheCHEMCADHelpinformationaboutyourspecificUnitOpifyouneedtolook upthisabbreviation. Beforeyoucontinue,youwillneedtoturnofftheReadonlyattributeforthe newspreadsheetfile.Thequickestwaytodothisistorightclickthefilewithinthe WindowsExplorer,selectProperties,andthencleartheReadonlycheckboxinthe Propertiesdialogbox. OncethecopyisrenamedandtheReadonlyattributeisturnedoff,youcan openthespreadsheetandedititasneeded.
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Using CHEMCAD as an OPC Server

CHEMCADiscapableofsettingupanOPCserverwhichallowsdirectdatatransfer betweenanyCHEMCADsimulationandanyOPCclientapplication. OPCstandsforOLEforProcessControl.OPCprovidesastandardmethodfor differentdevicesandapplicationstosharedata.UsingOPC,youcansharedata betweenCHEMCADsimulationsandSCADAsystems,datahistorians,distributed controlsystems(DCS),andhumanmachineinterfaces(HMIs). Infact,theacronymOPCisnowconsideredbymanytomeanOpenness, Productivity,Connectivity,becausethistechnologyformsthebasisforsharingand manipulatingplantdata. OPCenabledsystemsareclassifiedaseitherOPCserversorOPCclients.OPC serversareeitherapplicationsordevicesthatprovidedata.OPCclientsare interfacesthatuseandmanipulatethisdata.OPCclientscanconnecttomultiple OPCserversatanytimeandreadandwritedatatoallofthem.
OPC Applications
OPCcanbeappliedasfollows: Inferentialsensors:Sometimescalledsoftsensors,inferentialsensorsuseone ormoremeasuredvariablestoestimateanothervariable.UsingCHEMCAD simulationsanddatafromyourplantsDCS,youcanembedsimulationsto providedatasuchasconcentrations,heatduty,andfoulingfactor,which wouldnotnormallybeavailable. Operatortraining:YoucancoupleanoperatorHMItoadynamicsimulation tocreateatrainingsimulatorthatcanhelptrainoperatorsinasafeand effectiveway.
OPC Compliance
ChemstationsisaMemberoftheOPCFoundation,anorganizationdevotedto maintainingtheOPCstandards.CHEMCADhasbeencertifiedfor,andinterop testedfor,OPCDAstandard2.05a.
Enabling CHEMCAD as an OPC Server

ToenableOPCwithinCHEMCAD,selectTools>Options>Misc.Settings,then checktheEnableOPCServerboxandclickOK.Whenyoudothis,CHEMCAD registersanOPCservernamedCHEMCAD.SimulationServer.1onyourmachine. Onceyouloadasimulation,allofthatsimulationsstreampropertiesand UnitOpsettingsandvariablesareautomaticallypublishedastagstotheOPC serversnamespace.
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Everyvaluetaghasaunitstagassociatedwithit,whichshowstheengineering unitsusedtoreportthevalue.Tochangetheengineeringunits,selectFormat> EngineeringUnitswithinaCHEMCADsimulation. WhentheOPCserverfeatureisenabled,CHEMCADautomaticallyregisters itselfasanOPCserver.IfyouwanttounregisterCHEMCADandremoveitfromthe listofOPCservers,youcanselectStart>Runandtypethefollowingcommand: {program directory}\CC6.Exe unregister Forexample,ifyourprogramdirectorywereC:\Program Files\Chemstations\CHEMCAD\Program(thedefaultdirectory),youwouldtype thefollowing: C:\Program Files\Chemstations\CHEMCAD\Program\CC6.exe unregister
Reading and Writing Values to CHEMCAD Using OPC

YoucanuseOPCtohavevaluesreadfromorwrittentoasimulation,andtorunthe simulation.Bothsteadystateanddynamicsimulationscanberuninthisway. ValuesareupdatedtotheOPCserverwheneverCHEMCADcompletesasteady staterunoradynamictimestep.Valuescanalsoberead;inthecaseofadynamic simulation,readingvaluesbetweentimestepswillcausetheprogramtoextrapolate fromthelastconvergedresults. Valuescanbewrittenatanytime.IfCHEMCADisintheprocessofexecutinga timesteporasteadystatesimulation,thevaluesareheldinabufferuntilthe simulationisconverged,atwhichtimethevaluesarewrittentoCHEMCAD. WhenvaluesarewrittentoaCHEMCADstream,thestreamisimmediately reflashed,andallOPCtagsforthatstreamareupdated.
OPC Server Operations

InadditiontoreadingandwritingprocessdatatoCHEMCAD,itisusefultobeable tosendcommandstoCHEMCAD,forexampletotellCHEMCADtostartorstop runningasimulation. ThisisdonewithaseriesofflagsintheCHEMCADgroupoftheOPCserver.To useanyoftheseflags,writea1toflag.CHEMCADwillexecutethedesired commandandreturnavalueindicatingsuccessorfailure.Areturnof0indicates thatthecommandhascompletedsuccessfully,whileanegativereturnindicatesa problemofsomekind. Theavailablecommandsareasfollows: RefreshServertellsCHEMCADtorefreshalldatasenttotheOPCserver. RunSteadyStaterunsasteadystatesimulation.Whenthesimulation finishes,theflagwillbereseteitherto0(runconverged)ortoanegative numberindicatingthenumberoferrorsthatoccurredduringtherun.To
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viewtheerrormessagetext,youmustopentheCHEMCADinterface directly. Restoretoinitialstatereturnsadynamicsimulationtotimezero.Areturnof 0indicatessuccess;avalueof1indicatesfailure. RunDynamicstartsadynamicsimulation.Areturnof0indicatessuccess;a valueof1indicatesfailure. RunDynamicOneSteprunsasingletimestepofadynamicsimulation.A returnof0indicatessuccess;avalueof1indicatesfailure. SetInitialStatesetsthecurrentprocessconditionsasthetimezero conditions,overwritingtheprevioustimezeroconditions.Areturnof0 indicatessuccess;avalueof1indicatesfailure. StopSimulationstopsadynamicsimulation.Areturnof0indicatessuccess; avalueof1indicatesfailure.
CHEMCAD OPC Namespace

AnOPCnamespacedefinesandorganizesalltheavailablecommandsanddata. OPCnamespacesaredividedintogroups,eachofwhichcontainsitems.Itemsare sometimesreferredtoastags.
Note:Mostofthedataitemsinasimulationhaveengineeringunitsassociatedwith
them.Inthesecases,weusuallydefinetwoseparatetags,onecontainingthedata valueandtheothercontainingtheunitsstring.Allunitsstringsarereadonlyfrom OPC.Theunitsstringsaregovernedbythesettingsinsidethesimulation. ThegroupsinCHEMCADsOPCnamespaceareorganizedasfollows: CHEMCAD.SimulationServer:ThisistheOPCservername.Byconvention, thisnameisfollowedbyaversionnumber,e.g., CHEMCAD.SimulationServer.1,toindicatetheOPCServerversion.Thisis theservernametowhichOPCclientswillconnect. CHEMCADGroup:Thisgroupcontainsanyinformationthatisnot dependentonastreamorUnitOp,andallcommandsusedtorun CHEMCAD. StreamsGroup:Thisgroupcontainsaseriesofsubgroups,oneforeach streamontheflowsheetnumberedbystreamIDnumber. UnitOperationsGroup:Thisgroupcontainsaseriesofsubgroups,onefor eachunitoperationontheflowsheet,numberedbyUnitOpIDnumber.
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COM Interfaces
ComponentObjectModel(COM)isaMicrosoftstandardplatformthatenables programstosharecontentsuchasdataandcalculationroutines.Thisinterface makesitpossibleforotherprogramstocontrolaCHEMCADsimulation. CHEMCADactsasaCOMserver,soanyprogramthatcanactasaCOMclient canbemadetointerfacewithCHEMCADinthisway.Ifyouarentcertainwhether yourapplicationcanactasaCOMclient,checkwiththesoftwarevendor.
Note:UsingtheCOMinterfacetoCHEMCADisacomplicatedprocedurethat
requiressomeexperienceinprogramming.Ifyourorganizationlacksinhouse expertiseinprogramming,considerbringinginathirdpartyresourcetoassistyou withtheprocedure. ThefollowingsectionisabriefwalkthroughofasimpleCOMinterfacebetween ExcelandCHEMCAD.
Connecting Excel and CHEMCAD: A Simple COM Interface

WhileyoucanexportorimportdatavaluesusingExcelDataMap,more complicatedinteractionssuchasrunningasimulationfromanotherprogram requiretheextracontrolaffordedbytheCOMinterface. Thefollowingisasimplifieddescriptionoftheprocedureforconnectingthese twoprogramsandenablingExceltoloadasimulation,changeavalue,runthe simulationagain,readthesamevalue,andthenclosethesimulation. Inthisprocedure,youlluseExceltodothefollowing: OpenCHEMCAD ReadinvaluesfromCHEMCADintoanExcelworkbook Changeavalueinthesimulation Runthesimulation ReadtherevisedvaluesbackintoExcel
Normally,usingCOMinterfacesinvolvessomeprogramming.Wehavecreated anexamplecalledVBCLient.xlstohelpyouovercomethathurdle;youdontneedto writeanycodeatalltousethistool.Evenifyouneedtowriteyourownprogram, thecodeinthemacrosofVBClientwillcomeinhandyasaguide.
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Using the VBClient Example

FollowthesestepstousetheVBClientexample: 1. OpenExcelandloadtheworkbookcalledVBClient.xls.Thisworkbookhas threeworksheets: CommandcontainsbuttonsforcontrollingaCHEMCADsimulation. Streamsdisplaysallstreamdatainthesimulation.Thissheetcanbeused forbothinputandoutputofstreamvariablestotheCHEMCAD simulation. UnitOpsdisplaysallUnitOprelateddataforthesimulation.Thissheet canbeusedforbothinputandoutputofUnitOpvariablestothe CHEMCADsimulation.
2. OntheCommandsheet,youwillseeaseriesofbuttonstoloadCHEMCAD, loadasimulation,readdatafromthesimulation,writedatabacktothe simulation,andrunthesimulation.ClickLoadCHEMCADtostartan instanceofCHEMCAD. ClickLoadSimulationtoloadasimulationintoCHEMCAD. MakeachangetothedatashownontheStreamsandUnitOpssheets.

Note:Somevaluesarereadonly.Forexample,VBClientdoesnotallowyouto
changeastreamstotalflowratedirectly;youmustinsteadchangethecomponent flowratestomakeachangetothetotalflowrate. 3. ClickSaveDatatopushyourchangestotheCHEMCADsimulation. 4. ClickRunAlltorunthesimulation. 5. NotethechangestothedataontheStreamsandUnitOpssheets.
A Peek under the Hood

RightclickLoadCHEMCAD,selectAssignMacro,andthenclickEdit.TheVisual BasiceditorinExcelopenstodisplaythecodebehindthebutton: Sub LoadCC5() ' initialize global variables selJobName = "" selCaseName = "" selUpdateStrUopData = False selOK = False Set CC5 = Nothing
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' load CHEMCAD Set CC6 = CreateObject("CHEMCAD.VBServer") If CC6 Is Nothing Then Dim msg As String msg = "Can not load CHEMCAD." MsgBox msg End If End Sub Themostimportantlineinthatwholesubroutineis: Set CC6 = CreateObject("CHEMCAD.VBServer") Inthatsingleline,ExcelloadsCHEMCADintomemory. Loadingasimulationisaccomplishedwiththissimpleline: retFlag = CC6.LoadJob(casePath) Runningasimulationcanbeassimpleasthis: retFlag = CC6.SSRunAllUnits TheCOMInterfaceReferencesectionoftheCHEMCADHelpfile(listedunder theheadingCustomization)providesafullreferenceofthecommandsavailable throughCOM.
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Chapter 11
CHEMCAD Tutorials
AlthoughthesimulationsstoredinyourExamplesdirectoryareusefulformany scenarios,thebestwaytolearntouseCHEMCADistocreateandrunsimulations yourself.Thetutorialsinthischapterwalkyouthroughbasicsimulationbuilding stepbystep,usingarealisticexampleproblemthatwillhelpprepareyouforyour ownsimulations. Thefirsttutorialisforasimplesteadystatesimulation,whichisthenusedasthe basisforthesecondtutorial,inwhichyoulllearntousetheCCTHERMmoduleto rateaheatexchanger.Thethirdtutorialwalksyouthroughabatchdistillation problemusingCCBATCH,andthefinaltutorialcoversvariousscenariosforpiping systems.
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CC-STEADY STATE Tutorial

Thistutorialcreatesabasicsteadystatesimulationforacondensatestabilizerplant. Inthisplant,gasentersthesystemwiththefeedconditionsshowninthefollowing diagram:
Figure 11-01: Condenser stabilizer problem diagram
Yourjobistodeterminenewoperatingconditionsforthisexistingplant,along withanynecessarymodifications.Thedesignrequirementsareasfollows: Thecricondenthermdewpointoftheproductgasmustbe20Forless.A cricondenthermdewpointisthehighesttemperaturefortwophase coexistenceofamixture.Aslongasthestreamtemperaturestaysabovethe cricondenthermdewpoint,thestreamcontentswillnotcondense. Thestabilizedcondensatemusthavemaximumpropanecontentof1%.
Overview
RunningaflowsheetsimulationinCHEMCADisessentiallyaninestepprocedure: 1. Startanewsimulation. 2. Selectengineeringunits. 3. Createaflowsheet. 4. Selectcomponents. 5. Selectthermodynamicsoptions. 6. Definethefeedstreams. 7. EnterUnitOpparameters.
CHEMCADTutorials
8. Runthesimulation. 9. Reviewtheresultsandprintasneeded. Thestepsdonothavetobeperformedinthisorder,nordoallofthemhavetobe doneforeachflowsheet,butyoushouldconsiderallstepsforeachproblem.
Starting a New Simulation

Startbycreatinganewsimulationandgivingitaname. Todothis,launchCHEMCADandthenSelectFile>SavetoopentheSaveAs dialogbox.Navigatetothedirectorywhereyouwanttostorethesimulation(tryMy Simulations,locatedunderMyDocuments)andgiveyoursimulationaname, leavingthetypeasCHEMCAD6(*.cc6).ThenclickSavetocreatethefileandreturn tothemainCHEMCADwindow.
Note:Insteadofsavingallchangesinstantly,CHEMCADnowsavesyoursimulation
onlywhenyouusetheSavecommand.Thisprovidesyouwithgreaterflexibility andgivesyoumorecontroloveryoursimulations,butitalsomeansthatyoushould saveyourworkfrequently.Thisisasoundpracticeforworkinginanysoftware application,asitcanhelpyouavoidlosingworkintheeventofapowerproblemor computerglitch.

SelectFormat>EngineeringUnitstoopentheEngineeringUnitSelectiondialog box. TheEnglishunitsoptionisthedefaultandiscurrentlyhighlighted.Tochangethe engineeringunitssystem,youwouldclicktheAltSI,SI,orMetricbutton;youcould thenchangeanyoftheindividualunitsaswell.Forthistutorial,youwilluseEnglish units,soclickCanceltoexitthisdialogboxwithoutmakingchanges.

AsdescribedinChapter5,creatingaflowsheetisamatterofplacingUnitOpicons onthescreen,connectingthemwithstreams,andthenaddingvariousgraphical objectstoenhancethedrawing.
Placing UnitOps
1. Startyourflowsheetbyaddinganicontorepresenttheinitialfeedstream.In theAllUnitOpspalette,findtheFeedicon,whichisanarrowpointingtothe right.ClicktheFeedicon,thenclickintheworkspacewhereyouwantto placethefeedstream.Whenthefeedstreamarrowappears,goaheadand turnofftheFeeddrawingtoolbyrightclickinganyblankareaofthe workspace.
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Note:AtanytimeafterdrawingafeedstreamoranyUnitOpicon,youcanclickthe
icontodisplaytheblacksizinghandlesateachcorner.Withtheiconselectedthis way,youcanclicktheiconanddragittoanewlocation,orclickanysizinghandle anddragitoutwardorinwardtoresizetheicon. 2. Nowplacethetwoheatexchangersontheflowsheet.OntheAllUnitOps palette,pointtotheHeatExchangericonuntilitspopuplabelappears(see Figure1102).
Figure 11-02: The pop-up label that identifies the UnitOp icon
3. ClickthelowerrightcorneroftheHeatExchangericon,ontheblacktriangle, toopenthesubpalette.Selectthetwosidedheatexchangericonasshownin Figure1103.Theiconthatyouclickedinthesubpalettenowappearsonthe mainAllUnitOpspalettetorepresenttheHeatExchangerUnitOp.
Figure 11-03: Selecting the two-sided heat exchanger icon
4. Pointthemousecursoraboutaninchtotherightofthefeediconandclick.A twosidedheatexchangericonappearsontheflowsheetwhereyouclicked.
Note:TheUnitOpIDlabelof1shouldappearinacirclenexttotheheatexchanger
icon.ForeachsubsequentUnitOpthatyoudraw,CHEMCADwillassignanordinal numberinthisway,touniquelyidentifyeachpieceofequipmentontheflowsheet. 5. ReturntotheAllUnitOpspalette,andagainclicktheHeatExchangericons blacktriangle.Toswitchfromthetwosidedmodeltoasinglesidedmodel, youllneedtoselecttheappropriateicon(seeFigure1104)fromtheHeat Exchangersubpalette.
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Figure 11-04: Switching to the single-sided heat exchanger icon
6. Againmovethecursortotheworkspace,thistimeaboutaninchtotheright ofthefirstheatexchanger,andclickthemouse.Asinglesidedheat exchangericonappearsontheflowsheetwhereyouclicked.Yourflowsheet sofarshouldlooksomethinglikeFigure1105.
Figure 11-05: The flowsheet so far
7. AddtheFlashandValveUnitOpiconstoyourflowsheet,usingthestandard icons. 8. Forthecondensatestabilizer,useadistillationcolumn.Multipledistillation UnitOpsareavailable,butfornow,assumethatthemoduleyouwanttouse istherigorousdistillationmodelcalledTower.YoullneedaTowericonwith traysandareboilerbutnocondenser;thisisdifferentfromthedefaultTower UnitOpicon.ClickthelowerrightcorneroftheTowericonsboxtoviewthe subpalette,thenselecttheiconshowninFigure1106.
Figure 11-06: Selecting the appropriate Tower UnitOp icon
9. NowthatyouhaveselectedtheappropriateTowericon,addthisUnitOpto theflowsheet. 10. PlacethreeProducticonsontheflowsheet,oneforeachproductstream.You canquicklyplacethreeidenticalicons,simplybyclickingrepeatedlyina
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slightlydifferentlocation.WhenyouveclickedtocreatethethirdProduct icon,rightclicktoturnofftheProductdrawingtool.
Drawing Streams
NowthatalloftheUnitOpsareinplace,selecttheStreamtoolandconnectthe variousUnitOpsasappropriate.Rememberthateachstreammuststartatared outletpointontheupstreamUnitOp,andendatablueinletpointonthe downstreamUnitOp. ToavoidhavingtoreselecttheStreamtooleachtime,makesurethatassoonas youclicktocompleteonestream,youmovethecursortothenextlocationandclick tostartthenextstream. Drawstreamstoconnectthefollowing: Feedstreamtofirstheatexchangersleftsideinlet Firstheatexchangersrightsideoutlettosecondheatexchangersleftside inlet Secondheatexchangersrightsideoutlettoflashinletofyourchoice Flashtopoutlettofirstheatexchangerstopinlet Firstheatexchangersbottomoutlettonearestproducticon Flashbottomoutlettovalveinlet Valveoutlettotowerinletofyourchoice Towertopoutlettonearestproducticon Towerbottomreboileroutlettonearestproducticon
Asyoudrawstreams,CHEMCADassignsstreamIDs,justasitassignedUnitOp IDswhenyoucreatedthoseitems.ThelabelsforstreamIDsaredisplayedin squares,todistinguishthemfromtheUnitOpIDsdisplayedincircles.
Selecting Components
Nowyouneedtoidentifythecomponentstobeusedinthissimulation.Startby selectingThermophysical>SelectComponents.ThisbringsuptheSelect Componentsdialogbox,showninFigure1107.
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Figure 11-07: The Select Components dialog box
Forthisexample,youllchoosecomponentsfromthestandardCHEMCAD database.IntheSelectComponentsdialogbox,findandaddeachneeded component,beginningwithnitrogen: 1. IntheSearchbox,starttypingthewordnitrogen. 2. Assoonasyouvetypedni,youshouldsee46NitrogenN2highlightedin theAvailableComponentsarea.Clicktherightarrowbuttontoaddnitrogento yoursimulation. 3. UsethescrollbarintheAvailableComponentsareatoreturntothetopofthe componentlist. 4. Holddownthe[CTRL]keyonyourkeyboardasyouclickeachofthe followingcomponentsinturn: 2 3 4 5 6 Methane Ethane Propane IButane NButane
5. Clicktherightarrowbutton,locatedtotherightoftheAvailableComponents area,toaddalloftheselectedcomponentstoyoursimulation. 6. Nowaddthefollowingcomponentsbydoubleclickingeachoneinturn: 7 8 10 IPentane NPentane NHexane
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Figure 11-08: The completed Select Components dialog box
7. SaveyourcomponentselectionsbyclickingOK.
Selecting Thermodynamic Options

Assoonasyouhavefinishedcomponentselection,theThermodynamicsWizard appears.Thistoolcansuggestthermodynamicsoptionstousewiththissimulation. CHEMCADsThermodynamicsWizardworkslikethis: 1. First,itlooksatthecomponentlistanddecideswhatgeneraltypeofmodelis required,i.e.,equationofstate,activitymodel,etc. 2. Second,itlooksattemperatureandpressurerangesthatyouprovideand decideswhichequationwithinagivencategoryisbestatthelimitsofthose ranges. 3. Ifthemethodisanactivitymodel,theprogramthenlooksattheBIP databasetoseewhichmodelhasthemostdatasetsforthecurrentproblem. ItthencalculatesthefractionalcompletenessoftheBIPmatrix.Ifthatfraction isgreaterthantheBIPthresholdparameter,itusesthechosenactivity method;ifnot,itusesUNIFAC. TheThermodynamicsWizardisnoreplacementforengineeringjudgment.Thistool usesanalgorithmbasedongeneralrules,andisthereforefallible.Thesuggested modelmightnotalwaysbethebestmodelforthesystem. Selectingthermodynamicoptionsbasicallymeansselectingamodelormethod forcalculatingvaporliquid(orvaporliquidliquid)phaseequilibrium(calledtheK valuemodel)andselectingamethodormodelforcalculatingtheheatbalance(called theenthalpymodel).Thecommandsfortheseselectionsarelocatedonthe Thermophysicalmenu. CHEMCADhasalibraryofdozensofKvaluemodelswithavarietyofoptions andabout12enthalpymodels.Makingtheproperselectionfromtheselibrariescan sometimesbedifficult.Forthepurposesofthistutorial,assumethatyouwanttouse
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thePengRobinsonmethodforboththeKvalueandenthalpycalculations.Follow thesestepstoselectyourthermophysicaloptions: 1. AcceptthedefaulttemperatureandpressurerangesintheThermodynamics WizardandclickOK. 2. ClickOKagaintoacceptthewizardssuggestedmethodofSRK. 3. WhentheThermodynamicSettingsdialogboxopens,findtheGlobalK ValueModelselection,intheupperleftcorneroftheKValueModelstab. ThecurrentsettingisSRK,butforthepurposesofthetutorial,youllneedto selectthePengRobinsonmodel.Clickthedownarrowattherightendofthe selectionboxtoviewalonglistofKvaluechoices,thenclickPeng Robinson.
Figure 11-09: The new K-value selection in the Thermodynamic Settings dialog box
4. NowclicktheEnthalpyModelstab.ThePengRobinsonmethodhasalready beenenteredastheGlobalEnthalpyModelselection;thiswasdone automaticallybecauseyouchosePengRobinsonasyourKvaluemethod. Whileyoudohavetheoptiontooverridethischoice,inthiscaseyoullneed tokeepthePengRobinsonmodel;leaveallsettingsastheyareandclickOK toreturntothemainCHEMCADworkspace. Forthepurposeofthistutorial,thethermodynamicselectionsarenowcomplete.

Note:WhileyouarenotrequiredtousetheThermodynamicsWizard,youshould
knowhowtouseit,ifonlyasastartingpointforyoursimulations.Youcanrevisit thewizardatanytimebyselectingThermophysical>ThermodynamicsWizard.
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Defining the Feed Streams

Nowitstimetodefineyoursimulationsfeedstream.Thereareseveralwaysthat youcandothis,butthequickestandmostefficientwaytodefineasinglestreamis todoubleclickthestreamline.
Note:Beforeyouproceed,verifythatyourengineeringunitsaresettoEnglishinthe
EngineeringUnitSelectiondialogbox,asdescribedearlierinthistutorial. Doubleclickthelineforstream1,yourfeedstream,tobringuptheEditStreams dialogbox.
Figure 11-10: The Edit Streams dialog box
Youwillspecifythefeedstreamaccordingtothefollowingrules: TheStreamNamefieldcandisplayastreamlabelofupto16alphanumeric characters.Thisfieldisoptional,andyoucanuseanylabelyoulike. ThenextfourfieldsTempF,Prespsia,VaporFraction,andEnthalpy MMBtu/harethethermodynamicpropertiesofthestream.Accordingtothe GibbsPhaseRule,onceamixturescompositionisgiven,specifyinganytwo ofthesefourthermodynamicpropertieswilldefinetheothertwo.Assuch, definingthecomposition,temperature,andpressureforamixtureuniquely definesitsvaporfractionandenthalpy.Alternatively,definingthe composition,pressure,andenthalpywilluniquelydefinethemixtures temperatureandvaporfraction. Sinceenthalpiesarecalculatedrelativetoadatum,thecalculationofany givenstreamenthalpyisaninvolvedprocesswhichispronetoerrors.For thisreason,CHEMCADdoesnotpermityoutoenterstreamenthalpyasa constraint.
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Inadditiontodefiningthestreamscomposition,youmustdefineexactly twoofthefollowingproperties:temperature,pressure,andvaporfraction. Thetwovariablesthatyouspecifywilldisplayasredtext,whilethethird variableandthevalueenthalpywillbedisplayedinblackwhenyouflashthe stream. Anexceptiontothisconventionallowsyoutoaddheatdutywithanempty stream.Ifyouspecifyatotalcomponentflowrateofzero,youmayspecifya temperature,pressure,andenthalpyrate.Astreamdefinedthiswayis treatedasaheatduty,andisaddedtotheheatbalanceoftheunit.The temperatureandpressurearearbitraryforthissituation. TheTotalflowunitandCompunitfieldsworktogethertoprovideavariety ofwaystodefinestreamcompositions.Iftheselectedcompunitismole, mass,orvolumefraction(eithergloballyorlocally),thentheTotalflowunit selectionisavailable.Iftheselectedcompunitisafloworamountoption, thenthetotalflowratebecomesthesumofthecomponentflowrates,and theTotalflowunitselectionisnotavailable. IftheCompunitfieldselectionisanamountflowunit(asopposedtoa fractionalunit),thenthecomponentflowratevaluesareautomaticallyadded asyouenterthem.ThecurrentsumisdisplayedintheTotalflowfield. YoucanclicktheFlashbuttonatanytimetoperformaflashcalculation usingthecurrentlyspecifiedcompositionandthermodynamicproperties. Thisenablesyoutoobtainflashcalculationsquicklyandwithoutleavingthe dialogbox. Fractionsthatdonotaddupto1.0areautomaticallynormalizedwhenyou eitherclickFlashorexitthedialogbox.
Withtheserulesandbehaviorsinmind,enterthedataforyourfeedstream. 1. Beginwiththestreamtemperature.ClicktheTempFlabel,thenclickthe emptyfieldtoitsright.Type75andthenpressthedownarrowkeyonyour keyboardtocontinue. 2. Type200inthePrespsiafield,thenpressthedownarrowkeyseveraltimes untilyouarriveattheNitrogenfield.

Note:Beforeyoucontinue,verifythattheCompunitfieldissettolbmol/h.
3. Type100.19intheNitrogenfield,andtheninsimilarfashion,typethe followingnumbersinthecorrespondingfields: Methane:4505.48 Ethane:514 Propane:214 IButane:19.2

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NButane:18.18 IPentane:26.4 NPentane:14 NHexane:14
4. ClickOKtosavethisstreaminformationandreturntothemainCHEMCAD workspace.
Enter UnitOp Parameters

Nowthatyouvespecifiedyourfeedstreamproperties,itstimetospecifythe characteristicsofyourUnitOps.ThefollowingsectionsaddresseachUnitOpinturn.
Note:Aswithstreams,youcanenterUnitOpparametersinvariousways,butforthe
purposesofthistutorial,wellusethequickestandsimplestmethod,doubleclicking eachUnitOptoaccessitsspecificationdialogbox.
First Heat Exchanger

1. Doubleclicktheflowsheeticonforthefirstheatexchanger.TheHeat Exchangerdialogboxwillappear,asshowninFigure1111.
Figure 11-11: The Heat Exchanger dialog box
2. AswithmanytypesofUnitOps,thedialogboxforspecifyingaheat exchangerconsistsofmultipletabbedpages.Youcanbrowsethroughthe Specifications,Misc.Settings,andCostEstimationstabsbyclickingeach tabinturn. 3. Thepressuredroponbothsidesofthisexchangeris5psi.Onthe Specificationstab,findthePressureDropsarea,andenter5inboththeStream 1andStream4fields. 4. Thefirststreamoutletmustbeatitsdewpoint,soyoullneedtospecifyan outletvaporpressureof1.InthefieldnexttoVaporfractionstream2,enter1.

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5. ClickOKtosavethespecificationsforthisUnitOpandclosethedialogbox.
Second Heat Exchanger

1. Doubleclicktheflowsheeticonforthesecondheatexchanger.TheSimple HeatExchangerdialogboxwillappear. 2. Theoutlettemperaturefromthisheatexchangerwilldeterminehowmuchof theliquidisremovedintheflashdrum.This,inturn,willdeterminethe cricondenthermdewpointoftheproductgas.Therefore,thisspecificationis oneofthekeyparametersofthisprocess.Asafirstattempt,useanoutlet temperatureof5F.Enter5inthePressuredropfieldand5inthe Temperatureofstream3field.
Figure 11-12: Setting up the second heat exchanger
3. ClickOKtosavethespecificationsforthisUnitOpandclosethedialogbox.
Flash Drum
Inthissimulation,theflashdrumisavaporliquidseparatorandrequiresno specification.
Valve
1. DoubleclickthevalveflowsheeticontobringuptheValvedialogbox. 2. Theoutletpressureforthisunitis125psia,soenter125intheOutletpressure field. 3. ClickOKtosavethespecificationsforthisUnitOpandclosethedialogbox.
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Stabilizer Tower
1. DoubleclickthetowericontoopentheTOWRDistillationColumndialog box.NotethatthesettingsforthisUnitOparedividedintofivetabs.
2.
OntheGeneraltab,enterthefollowing: Colmpressdrop:5 No.ofstages:12 Feedtrayforstream:1
3. ClicktheSpecificationstabtomakespecificationsforthecolumn.This columnhasnocondenserorsidestreams,soyouwillonlybemaking specificationsforthereboiler.DropdownthelistofoptionsforSelectreboiler mode,andselectthemodecalled4Bottommoleflowrate. 4. Nowyouneedtospecifythenumericvalueofthereboilerflowrate.Inthe Specificationfieldimmediatelytotherightofyourreboilermodeselection, enteravalueof30.

5.
ClickOKtosavethespecificationsforthisUnitOpandreturntothemain CHEMCADworkspace.
Allofthedataentryfortheflowsheetisnowcomplete.Beforeyoucontinue,you shouldsaveyoursimulation.Asnotedearlier,itsagoodideatodothisperiodically asyoubuildthesimulation,butcompletionofyourUnitOpspecificationsisa particularlygoodtimetostopandsave.
Run the Simulation

Torunthesimulation,clicktheRunAllbuttononthetoolbar. Theprogramfirstrechecksthedataandlistsanyerrorsandwarningsinthe Messagespane.Inthiscase,youshouldhavenoerrors,althoughyouwillhave warningsaboutestimatesyouhavenotgiven.Youcanignorethesewarningsand proceedbyclickingYes.Thecalculationwillthenproceed. Whentherunfinishes,amessageboxappears:Recyclecalculationhasconverged. Toclosethisdialogboxandclearthescreen,clickOK.
Review the Results and Print as Needed

Beforerunningandprintingreportsandplots,youshouldreviewthesimulationto verifywhetheritmeetsthedesigncriteriasetoutforthisproblem.
Checking the Cricondentherm Dewpoint

Ifyouhavechosentheproperoutlettemperatureforthesecondheatexchanger,the cricondenthermdewpointfortheproductgasstream(stream5)willbe20Forless. Thecricondenthermdewpoint,youwillrecall,isthehighestdewpointtemperaturea mixturewilleverseeatanypressure.Thesimplestwaytoidentifythehighest
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dewpointtemperatureoftheproductgasistoplotallofthedewpointtemperatures oftheproductgas,i.e.,toplotaphaseenvelope. 1. StartwiththePlotmenu,whichprovidesaccesstoalltypesofgraphical reports.SelectPlot>PhaseEnvelopes.IntheSelectStreamsdialogbox, specifystream5,thenclickOKtobringupthePhaseEnvelopedialogbox. 2. Noentriesarerequiredonthisscreensinceyouonlyneedtolookatthe dewpointline,buttomaketheplotmoreinteresting,displaythe0.25andthe 0.5vaporfractionlinesinadditiontothenormalphaseenvelopeboundaries. CompletethedialogboxasshowninFigure1113.
Figure 11-13: Plotting vapor fraction lines along with the cricondentherm dewpoint
3. ClickOKtocontinue.CHEMCADperformtherequiredflashcalculationsto generatethespecifiedphaseenvelope.Phaseenveloperesultsareproduced intwoformats: Anumericaltabulation(table)ofthetemperature,pressure,vapor fraction,vaporcompressibilityfactor,andtheliquidcompressibility factor Agraphicalplotoftemperatureandpressureforeachvaporfractionline requested
Thetabularresultswillappearfirst;sinceyoureinterestedinthegraphical results,closethewindowdisplayingthetable.Thescreenwillnowlook similartoFigure1114.NotethatthemainCHEMCADbuttontoolbaris largelyunavailablenow,andthemenuitemshavechanged.
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Figure 11-14: Phase envelope plot results
4. Todeterminewhetherthecricondenthermdewpointofstream5is20For less,zoominonthefarrightportionofthedewpointcurve.Todothis,click anddragwithyourmousetohighlightthatportionofthegraph approximately400to1000psiand0to30F.Whenyoureleasethemouse button,theselectedareawillfilltheentireplotwindow,givingyouaclose upviewofspecificdatapoints.
Figure 11-15: Zoomed-in plot results
5. Asthisviewshows,thehighestdewpointofthismixtureisalittlelessthan 20F,sothecricondenthermdewpointisindeedwithinthetargetproduct gasspecification.Rightclickthemouseanywhereintheplotwindowto returntothefullplotview. 6. Toprintthephaseenvelopeplot,clickthePrintbuttonandthenfollowany promptsfromyourprinter.
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7. YoucanalsotrythefollowingtopracticeworkingwithplotsinCHEMCAD: Editthetextoftheplottitle(inthiscase,PhaseEnvelopeforStream5)orthe graphaxislabelsbyselectingChart>EditTitles.IntheChartTitles dialogbox,makeanydesiredchangesandthenclickOKtoviewthe updatedchart. SelectChart>EdittoopentheChartExplorer,whichprovidesaccessto settingsforcolor,size,layout,andvariousotheraspectsoftheplot presentation.
8. Returntothemainsimulationwindowbyclickingthecharttabsredx button,orleavethechartwindowopenandclickthemainsimulationtabat thebottomleftoftheCHEMCADworkspace.
Checking the Bottoms Stream Purity

Thisproblemalsorequiresthatthepercentofpropaneinstream9be1%.Youcan checktoseeifyouveachievedthisspecificationbycheckingthestreamcomposition reportavailableontheReportmenu.First,though,youllneedtosettheflowunits forthestreamcomposition. 1. SelectReport>SetFlowUnitstobringuptheViewFlowRateUnitdialog box.ClicktheMole%buttonandthenclickOKtoapplythisselectionand closethedialogbox. 2. NowselectReport>StreamCompositions>SelectStreams.IntheSelect Streamsdialogbox,type9andthenclickOKtocontinue. 3. Theresultingtabulardatawindowshowsthatpropaneisgreaterthanthe1% specification(seeFigure1116).Thismeansthattheinitialdesignistoo conservative.Tocorrectthis,youcangobackandrespecifythecolumnto produceprecisely1%propaneinthebottom.
Figure 11-16: Stream Composition report for stream 9
4. Returntothemainsimulationwindowbyclickingthereporttabsredx button.
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Re-running the Simulation

Youcannowrerunthestabilizer,specifyingthatyouwant1%propaneinthe bottom. 1. DoubleclicktheTowerUnitOptobringuptheTOWRDistillationColumn dialogboxforthestabilizer. 2. ClicktheSpecificationstab.Youneedtochangethereboilermodefrom4 Bottommoleflowratetoapurityspecification.ClicktheSelectreboilersmode dropdownlistandselect6Bottomcomponentmolefraction. 3. Withthischangeofmode,youneedtospecifythedesiredpurityandthe componentforwhichitisbeingspecified.IntheSpecificationfield,enter.01. IntheComponentdropdownlist,select4Propane. 4. ClickOKtosaveyourchangesandreturntothemainCHEMCAD workspace. 5. Youcannowrerunthecalculationsforthecondensatestabilizer.Whileyou couldaccomplishthisusingtheRunAllcommand,itsmoreefficienttore runonlytheUnitOpthatyouhavechanged.Thequickestwaytodothisisto rightclicktheUnitOpiconontheflowsheetandselectRunthisUnitOp.Run theTowerUnitOpusingthismethod. AssoonasyouseetheRunfinishedmessageinthebottomleftcornerofthe CHEMCADwindow,youcancheckonthepropanecontentofthebottomstream. YouvealreadyseenhowtogetadetailedStreamCompositionreport;youcanalso usetheFlowsheetQuickviewfeaturetogetinstantstreaminformationwithouteven clickingthemouse. FindtheFlowsheetQuickviewbuttonatthefarrightendoftheCHEMCAD toolbar.Ifthisbuttonisnotcurrentlyactivated(withathinoutlineandawhite buttonbackground),clickthebuttontoturnonthisfeature.
Figure 11-17: Turning on the Flowsheet Quickview feature
WithFlowsheetQuickviewturnedon,pointyourmousecursoratstream9on theflowsheet.Afteramoment,apopupinformationwindowappears,listing streampropertiesincludingcomposition.Thevalueforpropaneshouldbe1orvery closeto1,asshowninFigure1118.
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Figure 11-18: Checking the propane content of stream 9
Nowthatyouhaveachievedtheresultsthatyousetouttoproduce,savethe simulation,usingeitherFile>SaveortheSavebuttononthetoolbar.
Producing a Text Report

TheReportmenuoffersabroadarrayoftextreports,asdescribedinChapter8, OutputandReports.Forthepurposeofthistutorial,assumethatyouwanttoview andprintoutareportwiththefollowinginformation: ForStreams1,5,8,and9,thestreamcompositioninmassflowratesand molefractions,aswellasthedefaultstreamproperties Theequipmentsummariesforeverypieceofequipmentintheflowsheet Towertrayprofilesforthecondensatestabilizer
Becauseyouwantareportwithabroadrangeofinformationaboutyour simulation,usetheConsolidatedReportoption. 1. SelectReport>ConsolidatedReporttobringuptheReportWriterdialog box.Fromhere,youcanspecifyexactlywhatyouwanttoincludeinyour report. 2. Startbyspecifyingwhichstreamsyouwanttoinclude.ClicktheSelect Streams&UnitOpstabandchecktheSelectStreams(OverrideDefaults) box.Thisprovidesaccesstotheotherstreamselectionsettings. 3. ClicktheSelectFromFlowsheetbutton,whichbringsuptheSelectStreams dialogbox.Eithertypeinthenumbers1,5,8,and9orclickthe correspondingstreamsontheflowsheettoaddthenumbers.ClickOKto returntotheSelectStreams&UnitOpstab. 4. TheAllUnitOpsoptionisselectedbydefault.Inthiscase,youdowantto includeallUnitOpsinthereport,soleavethesettingsontherightsideofthe tabastheyare. 5. ClickStreamPropertiesintheleftcolumntoviewthestreamproperties options.ThenclickthePropertiestab,whichlistsacollapsedlistofall availablestreamproperties.YoucanchecktheStreamProperties(Override
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Defaults)boxtoexplorethevariouspropertiesandseewhichonesare selected,butforthepurposeofthistutorial,usethedefaultsettingsonthis tab. 6. ClickStreamCompositionintheleftcolumntoviewthestreamcomposition options.ThenclicktheStreamCompositionstab,whichlistsavailableand selectedflowoptions.ClicktheStreamComposition(OverrideDefaults) boxtogainaccesstotheseoptions.KeeptheMassFlowRateoption,and doubleclickMoleFractionsintheleftcolumntoaddthisoptiontothelistof selectedflowoptionsatright. 7. Finally,verifythattheTrayprofilereportsectionisincludedinthe ConsolidatedReport.Youcanalsodeleteanyreportsectionsthatyoudont need,andreorderthedesiredsectionstosuityourneeds. 8. ClickGeneratetorunanddisplaythereport.Youcannowreviewthe results,rerunifdesired,savethereportforlateruse,andprintthereportas needed. 9. Whenyoufinishreviewingandworkingwiththereport,clickCancelto closetheReportWriterdialogboxandreturntothemainCHEMCAD workspace.
Generating a Process Flow Diagram

Asyouknow,thestreamsandUnitOpsonaflowsheetonlytellpartofthestoryof yourprocess.Fortunately,CHEMCADprovidesmanyfeaturestohelpyouaddthe extracontentneededtoturnaplainflowsheetintoafullfledgedprocessflow diagram(PFD)forotherstoreviewanduse. ToprepareyourfinishedsimulationtobeprintedasaPFD,youlladdastream databoxcontainingtheheatandmaterialbalancefortheentireflowsheet.Youll placethatdataboxunderneaththeflowsheetdiagramandthenaddatitletothearea abovetheflowsheet.Finally,youwillcreateanewlayerinthissimulationand assignthePFDspecificitemstothatlayer,sothatyoucanhidethemfromview whenworkinganddisplaythemagainquicklyforprinting. FollowthesestepstoprepareandprintthePFD: 1. Startbyzoomingouttogiveyourselfmoreworkspace.Ifyouuseamouse thatisequippedwithascrollwheelbetweenthemousebuttons,youcan pointatthecenterofyourflowsheetandrollthescrollwheeldownafew clickstozoomout.Ifyoudonthaveascrollwheel,youcanselectView> ZoomOptions>Out. 2. Nowplacethedataboxcontainingtheheatandmaterialbalanceforthis flowsheet.SelectFormat>AddStreamBoxtobringuptheSelectStreams dialogbox.Becauseyouwanttoincludeallstreams,leavethesettingsthe waytheyareandclickOKtocontinue.
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3. IntheDataboxPropertyOptionsdialogbox,reviewthedefaultselections, indicatedbycheckedboxes.Forthepurposesofthistutorial,leavethe selectionsastheyareandclickOKtocontinue. 4. IntheDataboxSettingsdialogbox,youcanindicatewhethertousedividing lineswithinthebox.AcceptthedefaultsettingshereandclickOK. 5. ThestreamdataboxappearsintheupperleftcorneroftheCHEMCAD workspace,butyouwanttoplaceitbelowtheflowsheet.Thedataboxis alreadyselected,sopointyourmousecursoranywhereinsidetheboxand thenclickanddragtorepositionit.Movethedataboxuntilitiscentered belowtheflowsheetdiagram.
Note:Youcanalsoresizeadataboxbyselectingtheboxandthenclickingand
dragginganyofthesizinghandlesatthecorners.Dragintomakethedatabox smaller,orouttomakeitlarger;noticethatthetextadjustsinsizetofitthebox. 6. NowplaceatitleonthePFDtodescribetheprocess.IntheAllUnitOpsor DrawingSymbolspalette,findandselecttheTexttool. 7. Movethecursortoapointsomewhereabovetheflowsheetandclickthe primarymousebutton.Averticalinsertionpointlinebeginstoblinkwhere youhaveclicked.TypethewordsCondensateStabilizerPFDandthenclick anyblankspotontheCHEMCADworkspace. 8. Tomakethistextlarger,selectFormat>Font.IntheFontdialogbox,change theSizesettingto18andthenclickOK. 9. Clickanddragthenewheadingtocenteritabovetheflowsheetdiagram. 10. Finally,setupalayerforyourstreamdataboxandtitlesothatyoucan displayorhidetheseitemsasasingleunit.AtthebottomoftheCHEMCAD Explorerpane,clicktheSimulationtab,thenrightclicktheLayersitemand selectNew.
Figure 11-19: Creating a new layer using the CHEMCAD Explorer
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11. IntheNewLayerdialogbox,typeanameforthenewlayer.Forthis example,namethelayerPFDElements,thenclickOKtocreatethelayer. 12. NowaddthetwoPFDelementstothelayer.Clickthetitlethatyouplaced abovetheflowsheet,thenholddownthe[SHIFT]keyandclickinsidethe streamdataboxthatyouplacedbelowtheflowsheet.Bothitemsshouldnow beselected,withsmallblackboxesvisibleineachcorner. 13. IntheCHEMCADExplorerpane,doubleclicktheLayersitemtoexpandit, thenrightclickonyournewlycreatedPFDElementslayerandclickAdd Selected.
Figure 11-20: Adding selected items to your new layer
14. ThetitleandstreamdataboxarenowpartofthePFDElementslayer.This layerisvisible,asindicatedbythegreencheckmarkonitsicon.Clickthis iconorthenamePFDElementstotogglethelayeroff,causingthetitleand streamdataboxtodisappear;thenclickagaintomakethemvisible. 15. WiththePFDelementsvisible,selectView>ZoomOptions>ZoomtoFit. ThiscustomfitstheentirePFDtotheavailableworkspaceforoptimal printing.Toprint,youcaneitherselectFile>PrintorclickthePrintbutton onthemainCHEMCADtoolbar.Followthepromptsforyourprinterto completetheprintingprocess. 16. TocloseCHEMCAD,selectFile>Close,orclicktheClosebuttoninthe upperrightcorneroftheCHEMCADwindow.ClickYesatthemessage askingwhetheryouwanttoexitCHEMCAD,thenclickYesagaintosave changestothesimulation.
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CC-THERM Tutorial
Thistutorialwalksyouthroughtheratingofaheatexchanger.Theexampleyoull workwithisthecondensatestabilizerexampledescribedintheCCSTEADYSTATE tutorial,whichlookslikethis:
WhileitsrecommendedthatanewCHEMCADuserbuildthissimulationfrom thegrounduptogainproficiencywiththesoftware,areadymadeexamplecalled CHEMCADTutorial.CC6isalsoavailable.Thisfileislocatedbydefaultinthe directorycalledMyDocuments\MySimulations\Examples\Tutorials. Yourobjectiveistoratethefirstheatexchangerinthisflowsheet.Theequipment youreworkingwithisacountercurrentgas/gasheatexchangerwiththefollowing geometryanddimensions: TEMAclass=R TEMAtype=BEM Foulingfactors=0.001bothsides Shellinsidediameter=27 Numberoftubes=646 Tubeoutsidediameter=0.75 Tubewallthickness=0.065 Tubelength=20 Tubepattern=rotatedtriangular(60) Tubepitch=0.9375 Baffles:10,equallyspaced Baffletype=singlesegmental Bafflecut=35%(diameter) Impingementplatepresent Shellsidenozzles=one,12
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Tubesidenozzles=one,12 BaffletoshellI.D.clearance=0.3125(diameter) ShellI.D.toOTLclearance=0.35433(diameter) Tubetobaffleholeclearance=0.035(diameter) Spaceattopofbundle=2.8 Carbonsteeltubes;allothermaterialsA285C 5rowspersealingstrip
Overview of the Heat Exchanger Sizing Process

TheCCTHERMmoduleenablesyoutogenerateheatcurvesandspecifyheat exchangers.Thisprocessinvolvesthefollowingsteps: 1. Identifythetubesidestream. 2. Generateandfinalizetheheatcurveandpropertiesonbothsidesofthe exchanger. 3. Definegeneralinformationabouttheexchanger. 4. Specifyanydesiredtubedata. 5. Specifyanydesiredshelldata. 6. Specifyanydesiredbaffledata. 7. Specifyanydesirednozzledata. 8. Specifyanydesiredspecificclearances. 9. Specifythematerialsusedintheconstructionoftheheatexchanger. 10. Specifyanydesiredmiscellaneousdata. 11. Runthesizingcalculations. 12. Reviewresultsandcreateplotsasneeded.
Identify the Tube-side Stream

OncethesimulationiscompleteinCCSTEADYSTATE,youcanstartsizingthefirst heatexchangerbyidentifyingthetubesidestream: 1. ClickonthefirstheatexchangericonandthenselectSizing>Heat Exchangers>Shell&Tube. 2. Amessageboxpromptsyoutoselectastreamenteringtheexchangerstube side.ClickOKtocontinue. 3. AttheSelectStreamsdialogbox,eithertype1orclickstream1onthe flowsheet,thenclickOK.
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4. CCTHERMdisplaysdataforallfourstreamsaroundtheexchangerina separatereportwindow.Revieworprintthedataasneededandthenclose thereportwindow.
Generate the Heat Curve

Oncethetubesidestreamisidentified,CCTHERMpromptsyouthroughthesetup oftheheatcurve.TheHeatCurveParametersdialogboxdisplaysassoonasyou closethereportfromthepreviousstep.
Figure 11-21: The Heat Curve Parameters dialog box
Toaccountforthechangeinphysicalpropertiesacrosstheheatexchanger,CC THERMdividestheanalysisintozones.Thesezonesarethermodynamicsegments basedonequaltemperaturechangesorequalenthalpyincrements.Therearetwo optionstochoosefrom: Equalenthalpy:Incrementsofequalenthalpychange Bubbledewpoint:Incrementsofequalenthalpychangebetweenthedew andbubblepoints,withseparatezonesforsuperheatingandsubcoolingif present
Thedefaultsettingisthebubbledewpointoption.Foreithersegmentation method,youcanalsodecidehowmanyzonestocalculatefortheexchanger.The morezonesyouspecify,themoreaccuratethecalculationswillbe,butcalculations willalsobeslower.Theindustrystandardis10zones(11points),whichisthe defaultentryhere,butyoucanselectanynumberbymakinganentryinthe Numberofcuttingpointsfield.Bearinmindthatthenumberofpointsequalsthe numberofzonesplusone. Forthistutorial,leaveallthedefaultsettingsandclickOKtocontinue.CC THERMcalculatesthe11pointsneededfortheheatcurveanddisplaysaplotlike theoneshowninFigure1122.
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Figure 11-22: Heat curve plot for first heat exchanger
Thisplotenablesyoutoinspectthecalculatedheatcurveforanyobvious problemsinthesetupoftheanalysis.ClickOKtoclosethiswindowandcontinue.
Define General Specifications

ThenextdialogboxtoappeariscalledGeneralSpecifications.Here,youcanprovide basicinformationgoverningheatexchangercalculations,suchasprocesstype, allowablepressuredrop,foulingfactor,TEMAclassandtype,andsoforth. Thisdialogboxhastwotabs,andmostofthefieldsonbothtabshavedefault settings.ThetabthatinitiallydisplaysiscalledGeneralInformation,anditincludes thefollowingsettings: Calculationmode:Thisentrydetermineswhetheryouaredesigningor ratingaheatexchanger.UsethedefaultsettingofRating. TEMAclass/standard:ThisentryspecifiestheexchangersTEMAclass, whichisprimarilyafunctionofitsmechanicaldetails.Usethedefaultsetting ofTEMAR. Orientation:Thisentryspecifieswhethertheexchangerismounted horizontallyorvertically.UsethedefaultsettingofHorizontal. TEMAfrontendhead,TEMAshelltype,andTEMArearendhead:To establishthebasicconfigurationoftheexchanger,youmustdefinethese characteristicsoftheexchangeraccordingtoTEMAdesignations.The simplestandmostcommonkindofexchangerisafixedtubesheet,orBEM, TEMAtype.SelectBBonnetforthefronthead,EOnePassfortheshell type,andMFixedTubesheet(Bhead)fortherearhead. Processtype:Insomecases,youmustidentifytheprocesstype,forexample inthecaseofpoolboilingorfallingfilmcondensation.Inthiscase,usethe
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defaultselectionofSensibleFlowforbothtubesideandshellside,asthere isnophasechangeoneithersideoftheexchanger. FoulingfactorToallowforfoulingontheinsideandoutsideofthetube, youcanenterfoulingfactors.Usethedefaultsettingof0.001(Englishunits) onbothsides.
OntheModelingMethodstab,youcanselecttheformulastobeusedincertain aspectsoftheheatexchangercalculations.Forthepurposesofthistutorial,usethe programsdefaultselections.ClickOKtocontinue.
Set Tube Specifications

TheTubeSpecificationsdialogboxnowappears,populatedwithdefaultentriesin allfields.
Figure 11-23: The Tube Specifications dialog box
Enter646intheNumberoftubesfieldandclickOKtocontinue.
Set Shell Specifications

ThenextdialogboxtoappeariscalledShellSpecifications.
Figure 11-24: The Shell Specifications dialog box
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Theonlyvaluethatyouneedtospecifyhereistheshelldiameter.CCTHERM assumesthatthevalueenteredhereistheactualshellinsidediameter.Type2.25(the equivalentinfeetto27)intheShelldiameterfieldandthenclickOKtocontinue.

Note: TheCHEMCADsuitehasahandybuiltinconversionfeaturethatcanhelp
wheninputfieldsrequireadifferentunitofmeasurethanthedatayouhave.Place yourcursorinanynumericdataentryfield,andthenpress[F6]tobringupadialog boxthatoffersconversionunitsrelevanttotheselectedfield.Typethevalueyou haveintheappropriatefieldandpress[ENTER]toconverttootherunits.Verifythe resultsoftheconversionandthenclickOK.CHEMCADautomaticallyselectsthe appropriateunitsforthefieldandentersthatconvertedvalue.
Set Baffle Specifications

TheBaffleSpecificationsdialogboxdisplaysnext.
Figure 11-25: The Baffle Specifications dialog box
Mostofthedefaultentrieshereareappropriateforthisexample;youdo, however,needtospecifythebafflespacingandbafflecut.
Baffle Spacing
Allthatyouknowforthepurposesofbafflespacingisthatthereare10baffles equallyspaced.Eraseanydefaultvaluesforspacingandenter10intheNumberof bafflesfield.CCTHERMwillcalculateequalspacingforthebaffles.
Baffle Cut Percent

Thebafflecutpercentcanbebasedeitherondiameteroronarea.TheBasisofcut fieldidentifiesthebasisforthespecifiedcut;usethedefaultsettingofDiameter,and enter35intheBafflecutpercentfield.ClickOKtocontinue.
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Set Nozzle Specifications

TheNozzleSpecificationsdialogboxnowappears.
Figure 11-26: The Nozzle Specifications dialog box
Thedefaultentriesareacceptableforthisexample,soyouonlyneedtoenterthe insidediameterfortheinletandoutletnozzlesonboththetubeandshellsides.All ofthesenozzleshave1internaldiameters. Enter1ineachofthefourfieldsatthetopofthedialogbox,thenclickOKto continue.
Set Clearance Specifications

YouwillnowseetheClearanceSpecificationsdialogbox.
Figure 11-27: The Clearance Specifications dialog box
CCTHERMalwaysdefaultstoTEMAclearances,sonormallynoentryis requiredinthisdialogbox.Inthiscase,theclearancesareknown,soyoushould enterthemintheeventtheydonotconformexactlytoTEMA.Youcanusethe[F6] featurenotedearlierinthistutorialtoconvertthegivenclearancesfrominchesto feet.

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Also,becausethereisanimpingementplate,youneedtoenterthespaceatthe topofthebundle.Type0.233333intheSpaceatTopofBundlefieldandthenclick OKtocontinue.
Set Material Specifications

ThenextdialogboxtoappeariscalledMaterialSpecifications.
Figure 11-28: The Material Specifications dialog box
Here,youcanspecifythematerialsofconstructionfortheheatexchanger.For thisexample,usethedefaultentries:carbonsteelforthetubesandA285Cforall othermaterials.ClickOKtocontinue
Set Miscellaneous Specifications

ThelastdialogboxtoappeariscalledMiscellaneousSpecifications.
Figure 11-29: The Miscellaneous Specifications dialog box
TheonlyfieldthatisimportanttothisexampleisRowsperSealingStrip.The defaultentryof5iswhattheexamplecallsfor,soleavethedialogboxasitisand clickOKtocontinue.
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Run Sizing Calculations

Nowthatyouhavespecifiedheatexchangerdatainalloftherequireddialogboxes, theShellandTubeExchangermenuappears.Notethatthismenuiswhatyouwill seeifyoureturntoshellandtubesizingforthisexchangeratanytimeafterthis initialspecification.
Figure 11-30: The Shell and Tube Exchanger menu
ClicktheCalculatebuttononthemenu.Thecalculationwillrunveryfast, showingruntimemessagesonthestatusbarandthenreturningyoutotheShelland TubeExchangermenu.
Review Results and Create Plots

Nowthatcalculationsarecomplete,youcanclicktheViewResultsbuttontoseethe resultoftheheatexchangercalculations.TheViewResultsmenuwillappear.
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Figure 11-31: The View Results menu
Clickanyofthesebuttonstoviewvariousreportsoneverythingfrombaffle parameterstovibrationanalysis.Whenyouselectareport,thedatadisplaysina separatewindow,whichyoucanrevieworprintandthenclose.Toreturntothe ShellandTubeExchangermenuatanytime,clicktheExitbutton. YoucanalsodisplayresultsgraphicallybyclickingPlot.ThisopensthePlot menu,fromwhichyoucanselectavarietyofzonebyzonegraphs.
Figure 11-32: The Plot menu
Theseplotsopeninaplotwindow,justliketheheatcurveplotthatyouwesaw atthebeginningofthistutorial.WhenyouclickOKtocloseanyplot,youwillreturn totheShellandTubeExchangermenu. Youcanalsoprinttabulated,hardcopyreportsusingtheSelectReportsand GenerateReportsoptionsontheShellandTubeExchangermenu.First,clickSelect ReportstobringuptheReportSelectiondialogbox.
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Figure 11-33: The Report Selection dialog box
Selectareportviewer,andchecktheboxesforthereportsthatyouwantto generate.ClickOKtoreturntotheShellandTubeExchangermenu,thenclick GenerateReports.Allofthereportsthatyouselectedwillbegeneratedand displayedusingtheviewerthatyouchose. ClickExittoclosetheShellandTubeExchangermenu,thenclickYeswhen askedwhetheryouwanttosaveyourchanges.Youcannowrevieworprintthe report.
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CC-BATCH Tutorial
ThistutorialwalksyouthroughtheprocessofusingCCBATCHtosimulateabatch distillationcolumn.
Description of the Problem

Thesimulationyouwillcreateisafivestepbatchdistillationcampaign,as illustratedinFigure1134.Theobjectiveistoseparate100lbmolofmixedpropane, butane,pentane,andhexaneintothreeseparatetanks,producing99%purebutane.
Figure 11-34: The batch distillation flowsheet
Thefollowingaredetailedspecificationsforthisproblem: ThermodynamicSelections K-value:PengRobinson Enthalpy:PengRobinson ColumnSpecifications InitialChargeConditions Temperature:Calculated Pressure:16.7psia VaporFraction:0atbubblepoint Totalamountofcharge: 100lbmol InitialChargeComposition(molefrac) Propane: 0.1 N-Butane: 0.3 N-Pentane: 0.1 N-Hexane: 0.5 No.ofinternalstages:8 No.ofoperations:5 Internalstageholdup:0.01ft3 Condenserholdup:0.1ft3 Condenserpressure:14.7psia Columnpressuredrop:2psia
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OperatingStep1 OperatingStep3 Purpose:Butaneproduction Refluxratio:25 Distillatemolarflowrate:2 Stopwhen:Accumulatormole fractionofNButaneis0.99 Materialstobeaddedatstart:20 lbmolofmolefraction40%N Butane/60%NHexane,atits bubblepointat16.7psia OperatingStep4 Purpose:Pentaneremoval Refluxratio:15 Distillatemolarflowrate:2 Stopwhen:Distillatemolefractionof NHexaneis0.2 Materialstobeaddedatstart:None Purpose:Propaneremoval Refluxratio:5 Distillatemolarflowrate:2 Stopwhen:Distillatemole fractionofNButaneis0.2 Materialstobeaddedatstart: None OperatingStep2 Purpose:Propaneremoval Refluxratio:20 Distillatemolarflowrate:2 Stopwhen:Distillatemolefractionof NButaneis0.985 Materialstobeaddedatstart:None
OperatingStep5 Purpose:Pentaneremoval Refluxratio:25 Distillatemolarflowrate:2 Stopwhen:Bottommolefraction ofNHexaneis0.9998 Materialstobeaddedatstart: None
Overview of the Batch Distillation Process

Theprocessofbuildingtheflowsheetandsimulatingthebatchdistillationinvolves thefollowingsteps: 1. Createanewsimulation. 2. Selectengineeringunits. 3. Drawtheflowsheet. 4. Selectthecomponents. 5. Selectthermodynamicoptions.
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6. Specifypotcharge. 7. Specifythedistillationcolumn. 8. Defineoperatingsteps. 9. Runthesimulation. 10. Reviewtheresultsandprintasneeded.
Creating a New Simulation

Startbycreatinganewsimulationandgivingitaname. Todothis,launchCHEMCADandthenSelectFile>SavetoopentheSaveAs dialogbox.Navigatetothedirectorywhereyouwanttostorethesimulation(tryMy Simulations,locatedunderMyDocuments)andgiveyoursimulationaname, leavingthetypeasCHEMCAD6(*.cc6).ThenclickSavetocreatethefileandreturn tothemainCHEMCADwindow.

SelectFormat>EngineeringUnitstoopentheEngineeringUnitSelectiondialog box. TheEnglishunitsoptionisthedefaultandiscurrentlyhighlighted.Tochange theengineeringunitssystem,youwouldclicktheAltSI,SI,orMetricbutton;you couldthenchangeanyoftheindividualunitsaswell.Forthistutorial,youwilluse Englishunits,soclickCanceltoexitthisdialogboxwithoutmakingchanges.

AsdescribedinChapter5,creatingaflowsheetisamatterofplacingUnitOpicons onthescreen,connectingthemwithstreams,andthenaddingvariousgraphical objectstoenhancethedrawing.
Placing UnitOps
BeginbyplacingtheBatchColumnunitonthescreen. 1. OntheAllUnitOpspalette,clicktheBatchcolumntool(seeFigure1135) andthenclickinthemainCHEMCADworkspace.Thebatchcolumnicon appearswhereyouclicked.
Figure 11-35: The icon representing a batch column
2. ClicktheTanktool(seeFigure1136).Ontheworkspace,clicktotherightof thebatchcolumntoplaceatankicon.Thenclickjustbelowthefirsttank,and
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clickagainbelowthesecondtank.Whenyouhaveplacedallthreetankson theflowsheet,rightclicktodeactivatetheTanktool.
Figure 11-36: The tank icon
3. ClicktheProducttool(seeFigure1137)andinsimilarfashion,placethree productarrowsontheflowsheet,eachonebelowandtotherightofatank icon.RightclicktodeactivatetheProducttool.
Figure 11-37: The product icon
Drawing Streams
NowthatalloftheUnitOpsareinplace,selecttheStreamtoolandconnecteach tanksoutlettothenearestproductarrow.Thesearetheonlystreamsthatyouneed forthistutorial.
Note:Inthissimulation,thebatchdistillationcolumntransfersproductstothetanks
baseduponbatchoperationparametersthatyouprovide.Streamconnections betweenthecolumnandthetanksarenotnecessary,andareambiguousgiventhe dynamicnatureofsuchstreams. Rememberthateachstreammuststartataredoutletpointontheupstream UnitOp,andendatablueinletpointonthedownstreamUnitOp.Toavoidhavingto reselecttheStreamtooleachtime,makesurethatassoonasyouclicktocomplete onestream,youmovethecursortothenextlocationandclicktostartthenext stream. Asyoudrawstreams,CHEMCADassignsstreamIDs,justasitassignedUnitOp IDswhenyoucreatedthoseitems.ThelabelsforstreamIDsaredisplayedin squares,todistinguishthemfromtheUnitOpIDsdisplayedincircles. Atthispoint,theflowsheetshouldlooksimilartoFigure1134.
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Selecting Components
Nowyouneedtoidentifythecomponentstobeusedinthissimulation.Startby selectingThermophysical>SelectComponents. Forthisexample,youllchoosecomponentsfromthestandardCHEMCAD database.IntheSelectComponentsdialogbox,findandaddeachneeded component. 1. Holddownthe[CTRL]keyonyourkeyboardasyouclickeachofthe followingcomponentsinturn: 4 6 8 10 Propane NButane NPentane NHexane
2. Clicktherightarrowbutton,locatedtotherightoftheAvailableComponents area,toaddalloftheselectedcomponentstoyoursimulation.TheSelect ComponentsdialogboxshouldnowlooklikeFigure1138.
Figure 11-38: The completed Select Components dialog box
3. SaveyourcomponentselectionsbyclickingOK.
Selecting Thermodynamic Options

Assoonasyouhavefinishedcomponentselection,theThermodynamicsWizard appears.Thistoolcansuggestthermodynamicsoptionstousewiththissimulation. CHEMCADsThermodynamicsWizardworkslikethis: 1. First,itlooksatthecomponentlistanddecideswhatgeneraltypeofmodelis required,i.e.,equationofstate,activitymodel,etc. 2. Second,itlooksattemperatureandpressurerangesthatyouprovideand decideswhichequationwithinagivencategoryisbestatthelimitsofthose ranges.
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3. Ifthemethodisanactivitymodel,theprogramthenlooksattheBIP databasetoseewhichmodelhasthemostdatasetsforthecurrentproblem. ItthencalculatesthefractionalcompletenessoftheBIPmatrix.Ifthatfraction isgreaterthantheBIPthresholdparameter,itusesthechosenactivity method;ifnot,itusesUNIFAC. TheThermodynamicsWizardisnoreplacementforengineeringjudgment.Thistool usesanalgorithmbasedongeneralrules,andisthereforefallible.Thesuggested modelmightnotalwaysbethebestmodelforthesystem. Selectingthermodynamicoptionsbasicallymeansselectingamodelormethod forcalculatingvaporliquid(orvaporliquidliquid)phaseequilibrium(calledtheK valuemodel)andselectingamethodormodelforcalculatingtheheatbalance(called theenthalpymodel).Thecommandsfortheseselectionsarelocatedonthe Thermophysicalmenu. CHEMCADhasalibraryofdozensofKvaluemodelswithavarietyofoptions andabout12enthalpymodels.Makingtheproperselectionfromtheselibrariescan sometimesbedifficult.Forthepurposesofthistutorial,assumethatyouwanttouse thePengRobinsonmethodforboththeKvalueandenthalpycalculations.Follow thesestepstoselectyourthermophysicaloptions: 1. AcceptthedefaulttemperatureandpressurerangesintheThermodynamics WizardandclickOK. 2. ClickOKagaintoacceptthewizardssuggestedmethodofSRK. 3. WhentheThermodynamicSettingsdialogboxopens,findtheGlobalK ValueModelselection,intheupperleftcorneroftheKValueModelstab. ThecurrentsettingisSRK,butforthepurposesofthetutorial,youllneedto selectthePengRobinsonmodel.Clickthedownarrowattherightendofthe selectionboxtoviewalonglistofKvaluechoices,thenclickPeng Robinson.
Figure 11-39: The new K-value selection in the Thermodynamic Settings dialog box
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4. NowclicktheEnthalpyModelstab.ThePengRobinsonmethodhasalready beenenteredastheGlobalEnthalpyModelselection;thiswasdone automaticallybecauseyouchosePengRobinsonasyourKvaluemethod. Whileyoudohavetheoptiontooverridethischoice,inthiscaseyoullneed tokeepthePengRobinsonmodel;leaveallsettingsastheyareandclickOK toreturntothemainCHEMCADworkspace. Forthepurposeofthistutorial,thethermodynamicselectionsarenowcomplete.

Note:WhileyouarenotrequiredtousetheThermodynamicsWizard,youshould
knowhowtouseit,ifonlyasastartingpointforyoursimulations.Youcanrevisit thewizardatanytimebyselectingThermophysical>ThermodynamicsWizard.
Specifying Pot Charge

Nowthatyouhavethermodynamicsandcomponentsdefinedforthissimulation, andyouhaveabatchcolumnintheflowsheet,youcandefinethepotchargeforthe column. Youwillspecifythepotchargeaccordingtothefollowingrules: TheTempF,Prespsia,VaporFraction,andEnthalpyMMBtu/hfieldsare thethermodynamicpropertiesofthecharge.AccordingtotheGibbsPhaseRule, onceamixturescompositionisgiven,specifyinganytwoofthesefour thermodynamicpropertieswilldefinetheothertwo.Assuch,definingthe composition,temperature,andpressureforamixtureuniquelydefinesits vaporfractionandenthalpy.Alternatively,definingthecomposition, pressure,andenthalpywilluniquelydefinethemixturestemperatureand vaporfraction. Sinceenthalpiesarecalculatedrelativetoadatum,thecalculationofany givenenthalpyisaninvolvedprocesswhichispronetoerrors.Forthis reason,CHEMCADdoesnotpermityoutoenterenthalpyasaconstraint. Inadditiontodefiningthepotcomposition,youmustdefineexactlytwoof thefollowingproperties:temperature,pressure,andvaporfraction.Thetwo variablesthatyouspecifywilldisplayasredtext,whilethethirdvariable andthevalueenthalpywillbedisplayedinblackwhenyouflashthecharge. TheTotalflowunitandCompunitfieldsworktogethertoprovideavariety ofwaystodefinechargecomposition.Iftheselectedcompunitismole,mass, orvolumefraction(eithergloballyorlocally),thentheTotalflowunit selectionisavailable.Iftheselectedcompunitisanamountoption,thenthe totalchargebecomesthesumofthecomponentquantities,andtheTotal flowunitselectionisnotavailable. IftheCompunitfieldselectionisanamountunit(asopposedtoafractional unit),thenthecomponentchargevaluesareautomaticallyaddedasyou enterthem.ThecurrentsumisdisplayedintheTotalflowfield.
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YoucanclicktheFlashbuttonatanytimetoperformaflashcalculation usingthecurrentlyspecifiedcompositionandthermodynamicproperties. Thisenablesyoutoobtainflashcalculationsquicklyandwithoutleavingthe dialogbox. Fractionsthatdonotaddupto1.0areautomaticallynormalizedwhenyou eitherclickFlashorexitthedialogbox.
Withtheserulesandbehaviorsinmind,enterthedataforyourpotcharge: 1. DoubleclickthebatchcolumntoopentheEditBatchChargedialogbox.
Figure 11-40: The Edit Batch Charge dialog box
2. InthePrespsiafield,type16.7,thenpress[TAB]andtype0intheVapor Fractionfield.
Note:Itsimportantthatyouactuallytypea0overtheexisting0entryintheVapor
Fractionfield.ThistellsCCBATCHthatyouarechoosingtospecifyavapor fraction. 3. IntheCompunitfield,selectmolefrac.Youcannowtypeavalueof100in theTotalflowfield. 4. Type0.1inthePropanefield,andtheninsimilarfashion,typethefollowing numbersinthecorrespondingfields: NButane:0.3 NPentane:0.1 NHexane:0.5
5. ClickOKtosavethischargeinformationandcontinue.
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Specifying the Distillation Column

Whenyouhavespecifiedthepotcharge,CCBATCHdisplaystheBatchDistillation Columndialogbox.
Figure 11-41: The Batch Distillation Column dialog box
MakethefollowingentriesontheGeneraltabofthisdialogbox: Numberofstages:8 Numberofoperationsteps:5 Stageholdup:.01 Condenserholdup:1 Condpressure:14.7 Colmpresdrop:2
Whenyouhaveenteredtheseparameters,clickOKtosavethedataand continue.
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Defining the Operating Steps

Whenyouhavecompletedtheinitialcolumnspecification,theBatchOperation Parametersdialogboxappears.
Figure 11-42: The Batch Operation Parameters dialog box
Inthisdialogbox,youlldefinetheparametersforeachoperatingstepofthe batchcampaign.Beforeyoubegin,youneedtounderstandhowCCBATCHhandles tankassignments. TheProductassignmentfieldsidentifytheaccumulatortowhichaproductor decantstreamwillbesent.Youcanusethisoptionevenifyoudonotplacetankson theflowsheet;simplydesignatingaUnitOpIDnumberissufficient.Inthiscase,its importantthatyoudesignateaUnitOpIDthatisnotalreadyinuse. SinceCCBATCHpermitsvaporliquidliquiddistillation,theremaybetwo liquidphasesinthecondenser,possiblygivingrisetodecantingofonephaseorthe other.TheDistillateTank#fieldentryrepresentsthetankthataccumulatesthe distillate.TheDecanterTank#fieldentryrepresentsthetankthataccumulatesthe decantedliquid,ifany.
Operating Step 1
Foroperatingstep1,makethefollowingentriesintheBatchOperationParameters dialogbox: ChangetheStartupoptionfieldto1Startwithtotalreflux. IntheProductassignmentarea,enter2intheDistillatetank#field. IntheFirstspecvaluefield,enter5asthevalueoftherefluxratio. IntheSecondspecvaluefield,enter2.
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IntheOperationstepstopoptionsarea,settheStopwhenoptiontoDistillate, settheMeasuredvariableoptiontoMolefraction,andenter0.2intheStop valuefield.IntheComponentfieldthatnowappears,select2NButane. IntheMin.runtimefield,enter0.5.
Whenyouhavemadetheseentries,clickOKtomoveontothenextoperating step.
Operating Step 2
Foroperatingstep2,makethefollowingentriesintheBatchOperationParameters dialogbox: Enter2intheDistillatetank#field. Enter20intheFirstspecvaluefieldand2intheSecondspecvaluefield. StoptheoperationwhenthemolefractionofNButaneinthedistillateis 0.985.
Whenyouhavemadetheseentries,clickOKtomoveontothenextoperating step.
Operating Step 3
Followthesestepsforoperatingstep3: 1. MakethefollowingentriesintheBatchOperationParametersdialogbox: Enter3intheDistillatetank#field. Enter25intheFirstspecvaluefieldand2intheSecondspecvaluefield. StoptheoperationwhenthemolefractionofNButaneinthe accumulatoris0.99.
2. ClicktheAdditionalSettingstab.Hereyouwillspecifytheadditionof20 molesofmixturetothepot,withacompositionof40%butaneand60% hexane.ChecktheAddmaterialtopotboxandthenclickOKtobringupthe EditBatchChargedialogbox. 3. InthePrespsiafield,type16.7,thenpress[TAB]andtype0intheVapor Fractionfield. 4. Enterthefollowingcompositionsettings: SettheCompunitfieldtomolefrac. Enter0.4intheNButanefield. Enter0.6intheNHexanefield. Enter20intheTotalflowfield.
5. ClickOKtocontinuetothenextoperatingstep.
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Operating Step 4
Foroperatingstep4,makethefollowingentriesintheBatchOperationParameters dialogbox: Enter4intheDistillatetank#field. Enter15intheFirstspecvaluefieldand2intheSecondspecvaluefield. StoptheoperationwhenthemolefractionofNHexaneinthedistillateis0.2. IntheMin.runtimefield,enter0.5.
Whenyouhavemadetheseentries,clickOKtomoveontothefinaloperating step.
Operating Step 5
Foroperatingstep5,makethefollowingentriesintheBatchOperationParameters dialogbox: Enter4intheDistillatetank#field. Enter25intheFirstspecvaluefieldand2intheSecondspecvaluefield. StoptheoperationwhenthemolefractionofNHexaneintheresidual chargeatthebottomofthecolumnis0.9998. IntheMin.runtimefield,enter0.5.
Whenyouhavemadetheseentries,clickOKtocontinue.
The Run Time Information Dialog Box

Atthecompletionofthelastoperatingstep,theRunTimeInformationdialogbox displays.Here,youcanchoosewhichvariableswillbeplottedwhenyourunthe simulation.
Figure 11-43: The Run Time Information dialog box
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Forthisexample,thedefaultdisplayaplotofdistillatemolefractionsforall fourcomponentsiswhatyouwant,soclickOKtobringuptheBatchDistillation menu.
Figure 11-44: The Batch Distillation menu
Thismenuprovidesaccesstotheentryscreensforalldefinedoperationsteps,as wellasoptionsforinserting,deleting,andcopyingoperationsteps.Youmightwant toreviewtheoperatingstepsandverifyyourentriesbeforerunningthesimulation. Whenyouarefinished,clicktheExitbuttontoclosethemenu.

Torunthesimulation,clicktheRunAlltoolbarbutton.CCBATCHfirstchecksthe inputdataforerrorsoromissions.Youmayseethefollowingtypesofmessages: Errormessagesmustbefixedbeforethesimulationcanproceed.Under specificationofthebatchcolumnwouldbeanexampleofthistypeoferror. Warningmessagesareusuallyinputomissions,whichmayormaynotcause problemsuponexecution.Thesearenonfatalerrorsthatdonotnecessarily needtobecorrectedpriortosimulation.
Assumingthatyoucorrectlyspecifiedthepotchargeandsubsequentoperation steps,youshouldseenomessages;theprogramwillproceeddirectlytothe calculation. Youwillseethedistillatemolefractionsplottedonthescreeninaplotwindow. Eachtimetheprogramproceedstothenextoperatingstep,anewplotwindowwill open,alongwithanewtabatthebottomofthemainCHEMCADworkspace. Duringtherun,onlythecurrentstepsplotisvisible.Whenthesimulationis finished,thedynamicplotwillquitscrollingandaRunfinishedmessagewillappear atthefarleftendoftheCHEMCADstatusbar. Aftertherun,youcanviewtheplotforaparticularoperatingstepbyclicking thecorrespondingtabatthebottomoftheCHEMCADworkspace.Tocloseany plotstab,clicktheClosebutton(markedwithanx)onthetab.Tocloseallofthe plottabsatthesametime,selectWindow>CloseAllCharts.
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Reviewing and Printing Results

Oncethesimulationiscomplete,youcanreviewtheresultsinteractivelybefore printingahardcopy.ThecommandsneededtodothisarelocatedintheReportand Plotmenus.
Plotting the Results

Forbatchcalculations,themostconvenientwaytoexaminetheoutputistoplotthe results.Todothis,clickyourbatchcolumnUnitOpandthenselectPlot>Dynamic Plots>BatchColumnHistory. ThisbringsuptheBatchColumnPlotsdialogbox.Fromhere,youcangeneratea plotthatencompassestheentirecampaign.Forexample,youcanfollowthesesteps toplotdistillatemolefractionsacrossalloperatingsteps: 1. InthePlotvariablefield,selectthe0Molefractionsoption. 2. IntheOfthefield,selectthe3Distillateoption. 3. IntheComponentstoplotarea,usethefirstfourfieldstoselectthefour componentsfoundinthedistillate.
Figure 11-45: The completed Batch Column Plots dialog box
4. ClickOKtoviewthecompositeplot,whichshouldresembleFigure1146.
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Figure 11-46: Composite plot showing composition of distillate over time
Revieworprinttheresultsasneeded,andthenclosetheplottabtoreturntothe simulation.
Generating Text Reports

Youcanalsoviewcertainbatchresultsintabularformat.Todothis,selectReport> BatchResults.Asummaryoftheresultsofthissimulationdisplaysinaseparate window.Revieworprinttheresultsasneeded,andthenclosethereportwindowto returntothemainCHEMCADwindow.
Generating a Full Report

TheReportmenuoffersabroadarrayoftextreports,asdescribedinChapter8, OutputandReports.Forthepurposeofthistutorial,assumethatyouwanttoview andprintoutareportwiththefollowinginformation: Operatingstepresults Batchcolumnhistory Finalbatchcolumnholdup
Becauseyouwantareportwithabroadrangeofinformationaboutyour simulation,usetheCHEMCADReportWritertool. 1. SelectReport>NewtobringuptheReportWriterdialogbox. 2. IntheAddNewReportSectionlist,thefirstthreeitemsareBatch DistillationResults,BatchHistory,andBatch/DynamicColumnHoldup. DoubleclickeachoftheseitemsinturntoaddthemtotheCurrentReport Sectionslistatleft.

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Figure 11-47: Batch distillation items added to new report
3. ClickGeneratetocreatethereport.Youcanthenedit,save,andprintthe reportasneeded. 4. Whenyoufinishreviewingandworkingwiththereport,clickCancelto closetheReportWriterdialogboxandreturntothemainCHEMCAD workspace.
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Piping Tutorial
Apipingnetworkrepresentstheflowoffluidsthroughseveralpiecesofequipment. Ifsufficientvariables(flowrateandpressure)arespecifiedonthepipingnetwork, CHEMCADcalculatestheunknownvariables. Forfluidflowthroughequipment,flowratemaybecalculatedasafunctionof theinletandoutletpressure.Ifyouknowanytwoofthesethreevariables, CHEMCADcancalculatethethird. Inthistutorial,youwillworkwithCHEMCADspipingfeatures.Youwill performcontrolvalveandorificesizingandrating;simulatecomplexpiping networks;usefeedbackcontrollers;calculateNPSH;andmakeappropriate equipmentselections.
Control Valve Sizing Example

Thisportionofthepipingtutorialcoverscontrolvalvesizing,controlvalves,andthe useofnodes.
Problem Statement
Forthispartofthetutorial,referencetheflowsheetshowninFigure1148.This exampleiscalledExample1,anditslocatedintheMy Simulations\Examples\Pipingfolder.
D-1 -9F 225 psig
D-2 -1F 15 psig
D-3 -28F 0.2 psig
Figure 11-48: Diagram of control valve sizing example
Youneedtosizecontrolvalvesforhandlingaflowof113,000lb/hrofliquid ammoniaineachlinecomingfromvesselD1.Youmustselectproperlysizedvalves andthendeterminethepercentopenforeachvalveattheratedservice. Toperformtheinitialsizing,allyouneedarestreamswiththecorrectproperties (seeFigure1149).Itisnotnecessarytomodelthetanks.

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1 1 2
Figure 11-49: Streams for initial sizing
AllthreestreamsinFigure1149areattheinletconditionsof9Fand225psig. Thedividersplitsthe226,000lb/hrflowintotwoequalflowsof113,000lb/hrof ammonia. Toperformtheinitialsizing,followthesesteps: 1. ClicktheRunAllbuttononthemainCHEMCADtoolbartocalculatethe flowinformationforstreams2and3.Bothstreamsshouldbeat9F,225 psig,and113,000lb/hrofammonia. 2. Clickstream2toselectit.Thestreamisselectedwhenitisshownbracketed byblacksquares.SelectSizing>ControlValvetobringuptheControlValve Sizingdialogbox.
Figure 11-50: The Control Valve Sizing dialog box
3. IntheDownstreampressurefield,enter15.ClickOKtodisplayacontrol valvesizingreportinaseparatewindow.CHEMCADreportstheproperties ofthestreamandthecalculatedparametersforthevalve. 4. Repeattheprocedureforstream3,usingadownstreampressureof0.2psig.
Rating Case
Thenexttaskistoratethesevalvesinasimulation.Youneedtodeterminethevalve positionforthesevalvesinthisserviceat113,000lb/hr.Sincethistaskmodelsthe behaviorofthecontrolvalves,youwillneedaslightlylargerflowsheet,asshownin Figure1151.
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1 1
3 2 4
2 4 8
3 5 9
Figure 11-51: Flowsheet for rating valves in a simulation
TheflashUnitOpsattheendarenotnecessary;theyareincludedtoillustratethe vaporandliquidflowratesinseparatestreamsifflashingoccurs. Thedividerisstillsetto113,000lb/hr,andtheflashtanksaresettothemode calledSpecifyTandP;calculateV/FandHeat.FlashUnitOp#2issetto1Fand15 psig.FlashUnitOp#3issetto28Fand0.2psig. Followthesestepstoratethecontrolvalves: 1. Doubleclicktheiconforcontrolvalve#4toopentheControlValvedialog box.
Figure 11-52: The Control Valve dialog box
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2. IntheValveflowcoefficient(Cv)field,enter36.IntheDownstream pressurefield,enter15.SelecttheOperatingmodeoptioncalledFix flowrate,adjustvalveposition.ClickOK. 3. Nowdoubleclicktheiconforcontrolvalve#5.Forthisvalve,selectthesame operatingmodethatyouusedforvalve#4.Specifyavalveflowcoefficientof 54andadownstreampressureof0.2psig,andthenclickOK. 4. ClicktheRunAllbuttononthetoolbartorunthesimulation. 5. Toviewtheresults,firstclickablankareaoftheCHEMCADworkspaceto ensurethatnoUnitOpsarecurrentlyselected.ThenselectReport>UnitOps >SelectUnitOps. 6. IntheSelectUnitOpsdialogbox,type4,press[RETURN],andthentype5. ClickOKtobringupareportforthesetwovalves. Thereportshowsthatvalve#4isat72.5%open,andvalve#5isat53.3%open. Toseehowmuchvaporizationoccursacrossvalve#5,rightclickthevalveand selectViewStreamProperties.ThisvolumechangeiswhyCHEMCADchosea largervalveforthesecondstream.Withthevaporizationoccurringinthevalve,a smallertwoinchvalvebodywouldbeapproachingsonicvelocitythroughthevalve body.
Flow Rate as a Function of Pressure

IntypicalCHEMCADsimulations,informationflowsinonedirection:downstream. Upstreamconditionsdeterminethedownstreamconditions.Inmostsimulations, yousimplysettheflowratesandpressuresoffeedstreams.Pressuredropsare eithercalculatedbasedonfloworspecifiedthroughUnitOps,andthedownstream pressures,flowrates,andsofortharecalculatedwhenyourunthesimulation. Forpipingsimulations,flowrateandpressurearedependentoneachother.The backpressureonvalves,pipes,andotherUnitOpsaffectstheflowratethroughthe valve.Likewise,theflowratethroughavalve(orthroughapipeorapump) determinesthedownstreampressure. Inflowmodelslikethecontrolvalvesizingmodel,itissometimesusefultolet flowratevaryasafunctionofthepressure.Forexample,supposeaprocessupsetin thesystemshowninFigure1153causedthepressureinvesselD2torisefrom15 psigto30psig.Assumingtheupsetoccursfasterthanthevalvesreact,whatisthe newflowratefromD1?
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CHEMCADTutorials
D-1 -9 F 225 psig Cv =36 72.5 % open D-2 -1 F 30 psig (UPSET condition)
Cv =54 53.3% open
D-3 -28F 0.2 psig
Figure 11-53: Vessel D-2 in an upset condition
Toanswerthisquestion,youneedaspecialUnitOpcalledanode.Anodeisa pointinthesimulationthathasapressure,aflowcomingin,andaflowgoingout. Thenodeunitscreateanetwork,solvingforflowrateateachpointbasedonthe fixedpressures.Nodesareplacedontheflowsheetimmediatelyupstreamand downstreamfromeachcontrolvalve.Figure1154showsthesystemwithnodesin place.

11 6 10 11 7 13 9 15 17
18 12 12 8 14 10 16 19
20
Figure 11-54: Nodes located upstream and downstream from control valves
Thefunctionofthedividertosplittheincomingflowisnowhandledbynode #6.Thenodewillbalancetheflowratessothatallstreamsenteringandexitingthe nodeareatthesamepressure.Nodesarealsoplacedbetweentheflashvesselsand thecontrolvalves.Atthenodesyoucanfixthepressures,andlettheflowratevary asafunctionofvalvepositionandpressuredifference. Toseehowthesenodesaresetup,youcandoubleclicknode#6toopenthe Nodedialogbox.
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CHEMCADTutorials
Figure 11-55: The Node dialog box
Thefixedpressureatthisnodeis225psig.TheinletflowmodeissettoFreeinlet stream,andthetwooutletstreamsaresettoFlowsetbyUnitOp.Theflowintoeach controlvalvewillbedeterminedbythecontrolvalveopeningpositionandthe pressuredifferenceacrossthevalve. Fornode#9,thefixedpressureissetto30psig,andfornode#10,thepressureis 0.2psig.Flowintoeachofthesenodesiscontrolledbythecontrolvalveusingthe FlowsetbyUnitOpmode;flowoutissettoFreeOutletstream. Thecontrolvalvesneedtobechangedtofixthevalvepositionandcalculateflow rate.Todothis,settheOperatingmodeforeachvalvetoFixvalveposition,adjust flowrate. Aftermakingthischange,clicktheRunAlltoolbarbuttontorunthesimulation. Afterrunning,youcanviewthestreamsaroundnode#6byrightclickingthenode andselectingViewstreamcomposition.Theresultingreport(Figure1156)shows thattheflowrateforstream11(upstreamfromD2)hasdroppedfrom113,000lb/hr to109,138lb/hr.Thisillustratestheeffectofbackpressureontheflowratesthrough thevalves.
Figure 11-56: Stream composition report for node #6
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CHEMCADTutorials
Simple Flow Example

Thisportionofthepipingtutorialcoverscontrolvalvesizing,feedbackcontrollers, NPSH,orificesizing/rating,pipesizing/rating,andthePipeUnitOp.
Problem Statement
Thepipingsystemshownmustbedesignedtotransport120gpmofglacialacetic acidat70140F.Thepressureattheinletisknownat20psia,andtheoutletmustbe nolessthan20psia.Thepipingsystemanditsindividualelementsmustbesizedfor designconditionsandthenratedatoperatingconditions.Thegoalistodetermine theNPSHaandheadrequirementsforfuturepumpselection.
Figure 11-57: Piping isometric for this problem
ThisexampleiscalledExample2,anditslocatedinthelocatedintheMy Simulations\Examples\Pipingfolder.
Creating the Simulation

Followthesestepstocreateandrunthissimulation: 1. ConvertthepipingisometricinFigure1157toaCHEMCADflowsheet.Pipe UnitOpsareusedtorepresententiresectionsofpiping,includingfittings. 2. SelectSizing>PipingandselecttheapplicablestreamstobringupthePipe Sizingdialogbox.
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Figure 11-58: The Pipe Sizing dialog box
3. SelecttheTypicalsizingforsinglephaseoptionandusestandardschedule 40pipe.ClickOKtoviewalinesizingreportfortheselectedstream.
Note:Sincethefluidinthissystemissubcooledliquidandallflowsareconstant,
thiscalculatedlinesizeshouldapplytoallpipinginthesystem.Theexceptionisthe pumpsuctionpipe,whichasageneralruleshouldbeonesizelarger. 4. SelectSizing>Orificeandselectthestreamonthedischargesideofthe pump.IntheOrificeSizingdialogbox,selectDandD/2pressuretaps,enter 3asthepipeinsidediameter,andenter100asthewaterdifferentialpressure. ClickOKtobringupanorificesizingreportfortheselectedstream.

Note:Usingthecalculatedborehole,CHEMCADdeterminestheflowresistance
factoroftheorificeasshown:
C = Cd /( (1 4 )
1 2 Kr 2 4 C
TheorificesizingreportgivestheKrvalue,whichyouwilluselaterinthePipe SizingandRatingdialogbox. 5. Tosizethecontrolvalve,selectstream#1andthenselectSizing>Control Valve.IntheDownstreampressurefield,enter15,andselecttheSingleseat option.Sincestream#1isat20psia,youaresimplysizingacontrolvalveto produceapressuredropof5psi.ClickOKtoviewacontrolvalvesizing reportfortheselectedstream. 6. Doubleclickcontrolvalve#4toopentheControlValvedialogbox.Enterthe valveflowcoefficient(Cv)ofthevalvefromthesizingreport,setthevalve positionto50%,andsettheoperatingmodetoFixflowandposition, calculatePout.ClickOKtosavethesesettingsandclosethedialogbox.
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7. DoubleclicktheheatexchangericontoopentheSimpleHeatExchanger dialogbox.Enterapressuredropof2psiandsettheoutlettemperatureto 140F.ClickOKtocontinue. 8. Tabulateandspecifythevalves,fittings,pipelengths,andelevationchanges ofeachsectionofpipe.Forallofthesepipes,settheMethodfieldto2Single Phaseflow,settheSizingoptionto0Rating,anduseflangedfittings throughout. Pipe#1 1entrance,wellrounded 2ballvalves 4standardelbows,90degree 1tee,flowthroughbranch 35feetofpiping 8elevationchange Pipe#5(aftercontrolvalve) 2ballvalves 2tee,flowthroughrun 3standardelbows,90degree 1exitfrompipe 24feetofpiping 2footelevationchange Pipe#3(beforecontrolvalve) 1swingcheckvalve,clearway 2ballvalves 2tee,flowthroughrun 1orificeplate(aspreviouslydetermined) 14feetofpiping 14elevationchange Pipe#7(afterE1515) 1ballvalve 4standardelbows,90degree 1tee,flowthroughrun 1wellroundedentrance 1exitfrompipe 157feetofpiping 5elevationchange 9. Specifythepumpoutletpressureatsomearbitraryvalue(try25psia)and makeatrialrun.Checkthecalculatedoutletpressure.Youcantheniterateto findtherequiredpumphead.
Using Controllers to Simplify the Problem

Whilemanuallychangingthepumpoutletpressurewillgetyouwhereyouneedto be,itseasiertoletCHEMCADdothework.TheControllerUnitOpcanadjustthis pressureforyou. AfeedbackcontrollerinCHEMCADhasnothingtodowithprocesscontrol valvesorPIDsettings.InaCHEMCADsteadystatemodel,thetermfeedbackcontrol referstoamathematicalcontroller.Itsamathtoolusedtoadjustavariableona flowsheetuntilatargetvaluereachesaspecifiedvalue. Followthesestepstouseafeedbackcontrollertocalculatetherequiredoutlet pressure:
CHEMCADTutorials
1. Rightclickstream#8andselectInsertunit.ClickOKatthepopupmessage andthenclicktheControllertoolintheAllUnitOpspalette. 2. Clickneartheexistingstreamtoplaceacontrollericonontheflowsheet.The streamautomaticallyreroutesthroughthisicon,asshowninFigure1159.
7 7 8
8 9
Figure 11-59: Insertion of feedback controller
3. IntheControllerdialogbox,specifythefollowingandthenclickOK: Controllermode:Feedbackward Adjustthisvariable:UnitOp,IDnumber2,Variable2Outputpressure Untilthis:Stream,IDnumber8,Variable2Pressure Isequaltothistarget:Constant20,Units4Pressure
Whenyourunthesimulation,thecontrollerwillautomaticallychangethepump outletpressureuntilthepressureleavingthelastpipeunitisequalto20psia.You nowknowtheheadrequirementsforyourpump.
Calculating NPSHa
Thenetpositivesuctionhead,betterknownasNPSH,isdefinedasthetotalpressure availableatthepumpsuctionminusthepumpingfluidsvaporpressure.Itisalmost alwaysreportedinfeetofpumpedfluidorwater. EverypumphasaspecifiedNPSHrequirement(NPSHr)atagivenoperating speed.Toensurereliableoperation,theavailableNPSH(NPSHa)mustbegreater thantheNPSHr.Ifnot,cavitationandshortenedservicelifemayresult. Toselecttheappropriatepump,youneedtocalculateNPSHa.InCHEMCAD, thisisaneasytask.SimplychecktheCalculateNPSHaboxinthePumpdialogbox, andthenrunthesimulation.NowwhenyoupullupthePumpdialogbox,the calculatedNPSHaisdisplayed.
Note:ItisimportanttotheNPSHacalculationthattheinletpipingtothepumpbe
correctlyspecified.Ifthepipingspecificationsarenotcomplete,thepressureatthe inletmaynotbeaccurate,leadingtoaninaccurateNPSHacalculation.
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CHEMCADTutorials
Branched Flow Example

ThisportionofthepipingtutorialcoverstheNodeUnitOp,pipenetworks,pump selectioncriteria,andPumpUnitOpperformancecurves.
Problem Statement
Thepreviouspipingsystemhasbeenchanged.Duetothebranchedflowtothetwo heatexchangers,theproblemisnolongerasimpleone.
Figure 11-60: Piping isometric showing branched flow
ThisexampleiscalledExample3,anditslocatedinthelocatedintheMy Simulations\Examples\Pipingfolder. Thebranchedflowisadifficultproblemtosolveusingthecontrollerapproach. Bothexchangershavedifferentpipingandthereforedifferentflowrates.Youneed anapproachwhereyousplitandrecombineflows,andhavethesimulationcalculate thepressureandflowratesinaniterativemanner.TheNodeUnitOpgivesyouthis flexibility. Rememberthatanodeisapointwherepressureisuniform.Theremaybe multipleinletsandoutlets.Theflowratesforeachstreamwillbebalancedby CHEMCADtoreachasinglepressure.Youcanspecifythepressureorallowitto vary.
Creating the Simulation

ConvertthepipingisometrictoaCHEMCADflowsheet,asshowninFigure1161.
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CHEMCADTutorials
Figure 11-61: The flowsheet representing this piping system
InCHEMCAD,PipeUnitOpsareusedtorepresententiresectionsofpiping, includingfittings.NodeUnitOpsareplacedwherepressureorflowrateare unknown. Forthisexample,assumeapressuredropof2psiacrosseachheatexchanger. Tabulatethevalves,fittings,pipelengths,andelevationchangesofeachsectionof pipe.Useflangedfittingsthroughout. Pipe#1 1entrance,wellrounded 2ballvalves 4standardelbows,90degree 1tee,flowthroughbranch 35feetofpiping Pipe#3(aftercontrolvalve) 1ballvalve 1tee,flowthroughrun 2standardelbows,90degree 10feetofpiping Pipe#2(beforecontrolvalve) 1swingcheckvalve,clearway 2ballvalves 2tee,flowthroughrun 1orificeplate(asdeterminedabove) 14feetofpiping Pipe#4(toE1514) 1tee,flowthroughbranch 1ballvalve 1exitfrompipe 3standardelbows,90degree 26feetofpiping
CHEMCADTutorials
Pipe#5(fromE1514) 1ballvalve 1wellroundedentrance 3standardelbows,90degree 1tee,flowthroughbranch 30feetofpiping Pipe#7(fromE1515) 1standardelbow,90degree 1ballvalve 1wellroundedentrance 1tee,flowthroughrun 10feetofpiping
Pipe#6(toE1515) 1ballvalve 1exitfrompipe 1tee,flowthroughrun 1standardelbows,90degree 14feetofpiping Pipe#8(toV1522) 3standardelbows,90degree 1exitfrompipe 147feetofpiping
Atthistimeyoudontknowthepumpspecifications,sosetthepumptoSpecify OutletPressureandleavethepressurespecificationblank.TheNodeUnitOpwill solveforthepressureincrease,andsetthepumpoutletpressureaccordingly. Setupthenodeswiththefollowinginformation: Node3:Variablepressure,usecurrentstreamrateforinlet,flowsetby UnitOpforoutlet,elevation=20feet Node5:Variablepressure,flowsetbyUnitOpforbothinletandoutlet, elevation=34feet Node7:Variablepressure,flowsetbyUnitOpforbothinletandoutlet, elevation=34feet Node9:Variablepressure,flowsetbyUnitOpforbothinletandoutlet, elevation=34feet Node12:Variablepressure,flowsetbyUnitOpforbothinletandoutlet, elevation=50feet Node16:Variablepressure,flowsetbyUnitOpforbothinletandoutlet, elevation=38feet Node18:Variablepressure,flowsetbyUnitOpforbothinletandoutlet, elevation=42feet Node20(lastnode):Fixedpressure,20psia,flowsetbyUnitOpforinlet,free outletstreamforoutlet,elevation=43feet
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Torunthesimulation,clicktheRunAllbuttononthemainCHEMCADtoolbar. Oncethesimulationhasrun,checkthePumpUnitOpspressureincrease.This tellsyoutheheadrequirementsofthepump.Usingthisinformationandtheflow rate(120gpm),youcanconsultapumphandbooktodeterminethecorrectpump size.
Selecting a Pump
Thefollowingpumpcurvedataisrepresentativeofthetypeofequipmentthat wouldbeappropriateforthisapplication.
Pump Curve
90 80 Head (ft) 70 60 50 40 30 20 0 40 80 120 160 200 Flow (gpm) 1150 rpm 1450 rpm 1750 rpm
0.6 0.55 1750 rpm Efficiency 0.5 0.45 1150 rpm 0.4 0.35 0.3 0 40 80 120 160 200 Flow (gpm)
Figure 11-62: Combined pump curves for a sample pump
1450 rpm
Toenterthiscurveintoyourpump,openthePumpdialogboxandselect SpecifyPerformanceCurveforthepumpmode.Thissettingallowsyoutoenter multiplespeedlinesandanoperatingspeed.Forthepurposesofthistutorial,enter1

CHEMCADTutorials
forthenumberofspeedlinesandsetthepumpspeedto1750RPM.ClickOKto bringupthePerformanceCurvedialogbox.
Figure 11-63: The Performance Curve dialog box
Hereyoucanenterasmanypointsasyouwanttodefineyourcurve. CHEMCADwillfitaquadraticequationtothepoints,creatingasmoothcurvefitfor yourdata. Nowthatyouhaveenteredthepumpperformancecurve,youmustaddnode UnitOpstothesuctionsideofthepumptoallowtheflowratetovary.Inthisway, youcancalculatethemaximumflowrateofyoursystem.
194
Index

.CC6files,29 Addingasinglecomponent,101 Addingcomponentstoasimulation,42 AllUnitOpspalette,37 Applyingatemplate,100 Assigningobjectstoalayer,95 Attachingasimulationfiletoanemail,33 BatchReactor/DVSLHistoryplot,72 BatchResultsreport,83 BinaryLLEplot,87 BinodalPlot,87 Binodal/ResidueCurvesplot,87 Buildingabasicsimulation,35 BulkPropertiesdialogbox,106 CallingChemstations,16 Cases,saving,32 CCBATCHtutorial,164 CCDYNAMICS,63 CCSTEADYSTATEtutorial,132 CCTHERMtutorial,153 CHEMCAD Mainmenu,23 Toolbar,23 Tutorials,131 Gettinghelpwith,15 Installing,7 Interface,17 Licensing,10 Modules,3 Openingolderfiles,34 Overview,1 Productsandfeatures,3 Systemrequirements,7 Usercomponentsin,30
CHEMCADCoachpane,27 CHEMCADDialogEditor,110 CHEMCADExplorer,introduced,18 CHEMCADReportWriter,84 CHEMCADSymbolEditor,107
195
Index
CHEMCADtutorials CCBATCH,164 CCSTEADYSTATE,132 CCTHERM,153 Piping,180
Customizingthermodynamics,111 DatainterfacestoCHEMCAD,117 DataMapExecutionRulesdialogbox,121 DataMaps,creating,118 Databoxes,90 DefaulticonforUnitOp,37 Definingstreams,48 DefiningUnitOps,49 Deletingatemplate,100 Dialogbox,customizing,110 DialogEditorutility,110 DistCurveCharacterizationdialogbox,105 Distillationreport,82 Dongle ForCHEMCADlicensing,10 Reprogramming,13
Chemicalcomponents,selecting,42 Chemstationswebsite,16 Coach,27 ColumnProfiles,88 COMinterfaces,128 ComponentObjectModel(COM),128 Components Adding,44 Finding,43 Removing,45 Selecting,42
CompositeCurvesplot,88 ConnectingstreamstoUnitOps,39 Consolidatedreporting,84 ControlValveSizingdialogbox,58 ControllerConvergenceplot,89 ConvergenceParametersdialogbox,65 Costingcalculations,customized,109 CreatingacustomUnitOpdialogbox,110 Creatingalayer,94 Creatinganewsimulation,31 Creatingatemplate,100 CreatinganExcelDataMap,118 Creatingcustomcomponents,101 CreatingExcelUnitOps,123 CreatingcustomUnitOps,109 CurveTemperatureCutRangesdialogbox,105 Customcomponents,101 Customenthalpymodel,111 CustomKvaluemodel,111 Custommixingrule,creatingusingVBA,113 Customreaction,creatingusingVBA,113 CustomUnitOpicon Creating,107 Addingtoasubpalette,109
Drawingaflowsheet,36 Drawingstreamsonaflowsheet,39 Drawingtools,41 DynamicColumnHistoryplot,72 DynamicColumnHistoryreport,73 Dynamicoperation,settingup,65 Dynamicplots,89 DynamicRunTimeScheduledialogbox,67 Dynamicsimulation,running,69 Dynamicsimulations,strategiesfor,65 DynamicStreamHistoryplot,72 DynamicStreamHistoryreport,73 DynamicUnitOpHistoryreport,73 DynamicsMenu,66 Dynamicsreports,83 Dynamics Additionalinputfor,64 Defined,63 Output,71 Plottingresults,72 RecordingstreamsandUnitOps,68 Runningonestepatatime,70 Textbasedresults,72 Toolbarbuttonsfor,66
CustomUnitOp,creatingusingVBA,113 CustomUnitOps,creating,109 Customizedcostingcalculations,109 CustomizingCHEMCAD,99 CustomizingtheCHEMCADscreen,24
EditDistillationCurvesmenu,106 EditFeedStreamsbutton,48 EditStreamGroupdialogbox,77 EditStreamsdialogbox,48 Ellipsetool,41
196
Index
Emailingasimulation,33 EngineeringUnitSelectiondialogbox,36 Engineeringunits Changingforreports,76 Selecting,36
Linetool,41 LockedforEditingdialogbox,31 Lowfidelitymodeling,defined,53 Mainmenu,23 ManageComponentDatabasesdialogbox,102 MassandEnergyBalancesreport,83 Messagespane,22 Movingapane,25 MovingUnitOpicons,38 Multilinetool,41 MySimulationsdirectory,32 Neutralfileimport,106 NewComponentdialogbox,102 Newsimulation,creating,31 Notestab,onMessagespane,23 OlderCHEMCADfiles,34 OLEforProcessControl(OPC),125 OPC Applications,125 Compliance,125 Namespace,127 Serveroperations,126
Enthalpyoptions,selecting,46 Equipmentparameters,specifying,49 Equipmentsizing,introduction,54 ErrorsandWarningstab,onMessagespane,22 Examplefiles,30 ExcelDataMapEditor,118 ExcelDataMappingfeature,defined,118 ExcelDataboxSettingsdialogbox,92 Excelrangeboxes,92 ExcelUnitOps,creating,123 Flowsheetdataboxes,90 Flowsheettemplates,99 Flowsheets,drawing,36 Flowsheetbasedgraphs,88 GlobalEnthalpyModel,47 GlobalKValueModel,47 Graphicalreports,87 Grid,27 Groups Stream,76 UnitOp,80
OPCserver,usingCHEMCADas,125 Opencommand,31 Openinganexistingsimulation,31 OpeninganolderCHEMCADfile,34 Palettepane,introduced,20 Palettes,customizing,21 ParticleSizeDistributionreport,80 PFDprinting,96 PFDs,90 PhaseEnvelopesplot,88 Pinningandunpinningpanes,25 PipeProfileplot,88 Pipingtutorial,180 PlotsinCHEMCAD,87 Plots,dynamic,89 Plottingdynamicresults,72 PlugFlowReactorProfileplot,88 Polygontool,41 Printingaprocessflowdiagram,96 PrintingCHEMCADreports,89 Processflowdiagrams,90 Properties,ofstreams,48 PseudocomponentCurvesplot,88
HeatCurvesplot,88 Hidingalayer,95 Highfidelitymodeling,defined,53 HydrocarbonCorrelationdialogbox,105 Icons,creating,107 InstallingCHEMCAD,7 Jobfiles,29 Kvalueoptions,selecting,46 Layers,93 Assigningobjectsto,95 Creating,94 Deleting,96 Hidingandviewing,95 Removingobjectsfrom,96
LicenseMonitorscreen,11 LicensingCHEMCAD,10 Licensing,fordynamics,63 Licensing,forhighfidelitymodeling,62 Linesizing,55
197
Index
PseudocomponentCurvesreport,80 Pseudocomponentrange,defining,105 RecordStreamsdialogbox,68 RecordingstreamsandUnitOpsfordynamics,68 Rectangletool,41 Redocommand,26 Regressingdataintoauseraddedcomponent,104 Reliefdevicesizing,61 Removingcomponentsfromasimulation,45 Renamingatemplate,100 ReportWriter,84 Reportsfordynamicsimulations,71 Reports CHEMCADReportWriter,84 Dynamics,83 Printing,89 Streamcompositions,78 Streamproperties,79 UnitOpbased,80
Selectingcomponents,42 Selectingengineeringunits,36 SelectingKvalueandenthalpyoptions,46 Selectiveprinting,93 Settingruntimefordynamics,66 Simulationfiles Introduced,29 Creating,31 Emailing,33 Opening,31 Overviewofbuilding,35 Saving,32
Simulation,running,50 Singlecomponent,adding,101 Sizing,introduction,54 Specsheetreport,82 Specsheets,outputtoExcel,124 SpecifyingUnitOps,49 Startinganewsimulation,31 Streamboxes,90 Streamcompositionreports,78 Streamcomposition,viewing,79 Streamgroups,creating,76 StreamPropertiesplot,88 Streampropertyreports,79 Streams Drawingonaflowsheet,39 Defining,48 Rerouting,40
Reprogrammingadongle,13 Reroutingastream,40 ResettoInitialStatebutton,70 ResidueCurvesplot,88 Resizingapane,24 ResizingUnitOpicons,38 Results,reviewing,51 Reviewingrunresults,51 Routingstreams,39 RunfromCurrentStatebutton,69 RunfromInitialStatebutton,69 Runtime,setting,66 RunTracetab,onMessagespane,22 Runningadynamicsimulation,69 Runningasimulation,50 SaveAscommand,32 SaveasInitialStatebutton,71 Savingasimulation,32 Savingdifferentcases,32 SearchforUnitOp(s)field,21 SearchOptionsdialogbox,44 SelectComponentsdialogbox,43 SelectDataMapdialogbox,122 SelectDestinationDatabasedialogbox,102 SelectRegressionDataSetdialogbox,104 SelectSingleComponentdialogbox,103
Switchingtodynamics,65 SymbolEditorutility,107 Symbols,creating,107 Technicalsupport,contacting,16 Templates Applying,100 Creating,100 Defined,99 Deleting,100 Renaming,100
Textreports,75 Texttool,41 ThermodynamicSettingsdialogbox,47 Thermodynamicsreport,83 Thermodynamicssettings,manuallyselecting,47 ThermodynamicsWizard,46
198
Index
Thermodynamics,customizing,111 Thermophysicaldatagraphs,87 Toolbar,23 Topologyreport,83 TPboxes,91 TPXYplot,87 TraySizingdialogbox,59 Undocommand,26 UnitOpboxes,91 UnitOpdialogbox,customizing,110 UnitOpgroups,creating,80 UnitOpicons Creatingcustomized,107 Manipulating,38 Addingtoaflowsheet,36 Selectingdefaulticonfor,37 Listingofallavailable,5 Specifying,49
UnitOpbasedplots,88 UnitOpbasedreports,80 UpdateSimulationFormatdialogbox,34 UpdatingaCHEMCADlicense,13 Userspecifiedfile,plotting,89 ValveTraydialogbox,59 VBA Custommixingrules,113 Customreactions,113 CustomUnitOps,113 UsingtocustomizeCHEMCAD,113
VBAdefinedmixingrule,using,114 VBAdefinedreaction,using,113 VBAdefinedUnitOp,using,115 VesselSizingdialogbox,57 ViewPropertyOptionsdialogbox,79 View/EditComponentDatamenu,103 Viewingalayer,95 WebsiteforChemstations,16 ZoomOptionsmenu,27
UnitOps
199
Index
200

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CHEMCAD Version 6

CHEMCAD Version 6 User Guide

GraphicalReports................................................................................................................................. 87 ThermophysicalDataGraphs ......................................................................................................... 87

FlowsheetbasedGraphs.................................................................................................................. 88 UnitOpbasedPlots .......................................................................................................................... 88

PseudocomponentRange .............................................................................................................. 105 ImportingaNeutralFile ................................................................................................................ 106

RuntheSimulation ......................................................................................................................... 144 ReviewtheResultsandPrintasNeeded..................................................................................... 144

RunningtheSimulation ................................................................................................................. 176 ReviewingandPrintingResults ................................................................................................... 177

PipingTutorial .................................................................................................................................... 180 ControlValveSizingExample ...................................................................................................... 180

BranchedFlowExample ................................................................................................................ 190

Overview of CHEMCAD and Its Uses

Nomatterhowcomplexyourprocess,CHEMCADiscapableofdeliveringthe resultsyouneedtostaycompetitiveinanincreasinglyfastandfluidglobalmarket. Easytolearnandhighlycustomizable,CHEMCADcanputfutureproofsolutions withineasyreachofyourengineeringstaff.

CHEMCAD Products and Features

CHEMCAD Features by Module

Getting Started with CHEMCAD

NowthatyouhaveCHEMCADinhand,youprobablywanttogetstartedright away.Letsgetdirectlytothepoint,withstepbystepinstructionsforinstallingand licensingtheprogram.

Installing the Software

Onceyouveestablished thatyourcomputerisready forinstallation,insertthe CHEMCADinstallationdisc intoanavailableCDmedia driveandwatchforthe CHEMCADsplashscreento appear.

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

Figure 2-01: InstallShield Wizard screen listing software components to be installed

maybequiteafewscreens,andtheprocedurecouldtakeseveralminutes.Once thesecomponentsareinstalledonyourcomputer,however,youwillnotneedto reinstallthemwithfutureCHEMCADupdates.

Figure 2-02: The CHEMCAD Suite InstallShield Wizard screen

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

Figure 2-03: The Standard License screen

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

Figure 2-04: Status bar showing the progress of CHEMCAD installation

Wheninstallationiscomplete,youllseeonefinalscreen,whichstatesthatthe InstallShieldWizardhascompletedinstallationoftheCHEMCADSuite.Ifyou wouldliketostartCHEMCADnow,checktheLaunchCHEMCADSuiteboxbefore clickingFinish.

Types of CHEMCAD Licenses

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

Youoryourorganizationmayuseoneofthefollowingtypesofdongles: SuperProsingleuserdongle(parallelorUSBconnection) SuperProNetdongle(parallelorUSBconnection)

Insomeinstances,softwarelicensingisaccomplishedwithouttheuseofa hardwaredevice: RMSLicenseManagersoftware,whichrunsoveralocalorwideaccess network SystemAuthorization,amethodthatauthorizesasingleusermachinefor alimitedtime(usedforsoftwareevaluation)

Figure 2-05: The CHEMCAD License Monitor dialog box

Foundmessage,whichindicatesthatCHEMCADhasnotyetdetectedavalidlicense. Ifyourcomputerisexperiencingslowcommunicationwiththelicenseserver system,CHEMCADmaysimplyneedmoretimetodetectthelicense(s).Assoonas anyvalidlicenseisfound,CHEMCADwilldisplaytheCHEMCADLicenseMonitor screen.

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

Figure 2-06: Selecting a licensing preference

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

Figure 2-07: The CHEMCAD License Monitor dialog box

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

3. Thedialogboxnowlistsalllicensingdonglesanddisplaysafieldfor enteringthefullpathandfilenameforthedongleupdatefile.Clickthe Browsebuttontonavigatetotheupdatefile.

Figure 2-09: Browsing for the dongle update file

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

Figure 2-11: Successful re-programming of a CHEMCAD dongle

7. ClickOKtoclosethepopupwindow.IftheCHEMCADLicenseMonitor screenappears,clickContinuetocloseit. YoushouldnowbeabletoproceednormallyinCHEMCAD.

Getting Help with CHEMCAD

CHEMCAD Version 6 User Guide

Getting Started with CHEMCAD

The Chemstations Web Site

Contacting Chemstations Technical Support

CHEMCAD Version 6 User Guide

The CHEMCAD Interface

ThischaptertakesyouonatouroftheCHEMCADscreen,includingthemenusand toolbars,themainareasofthescreen,andtheflowsheetdrawingtools.Italsoshows yousomewaysthatyoucancustomizethescreenlayoutsothatitbestsuitsyour ownwayofworking.

The CHEMCAD Window

Workspace CHEMCAD Explorer pane Palette pane

The CHEMCAD Explorer Pane

Figure 3-02: CHEMCAD Explorer tabs

The Recent Files Tab