Principles of Steady-State Flowsheet

Simulation
Steady-State Simulation of Chemical
Process
Principles of Batch Flowsheet Simulation
Process and simulation flowsheet
Describe an existing process or hypothetical process in
sufficient detail to convey the essential features
Simulation is the tool chemical engineers use to interpret
process flowsheets, to locate malfunctions and to predict
the performance of processes
In order of increasing complexity, involve: material
balances, material and energy balances and equipment
sizing
Most basic chemicals processes involve conventional
process equipments: heat exchangers, pumps, distillation
columns, absorbers and so on
Design team need to prepare one or more equation solving
algorithms for each process unit to solve the material and
energy balances and to compute equipment sizes.
1. Process flowsheet
Collection of icons to represent process units and arcs (flowrates,
temperature, pressure, enthalpy, etc..) to represent the flow materials to
and from the units
2. Simulation flowsheet
Collection of simulation units to represent computer programs that
simulate the process units and arcs to represent the flow of information
among the simulation units
To convert from a process flowsheet to a simulation flowsheet, one
replaces the process units with appropriate simulation unit
Each of the simulators has an extensive list of subroutines (blocks or
models) to model and solve the process unit equations
In most simulators, new subroutines may be programmed by a user and
inserted into the library
The steady-state models in simulators do not solve time-dependent
equations. They simulate the steady-state operation of process units and
estimate size and cost of process units
When using process simulators, it is important to recognise that, some
exceptions, most stream are comprised of chemical species that distribute
within one or more solution phases that are assumed to be in phase
equilibrium
Process
Flowsheet
Simulation
Flowsheet
1. Degree of Freedom (DoF)
DoF analysis is incorporated in the development of each
subroutine that simulates a process unit
The subroutines solve sets of N
Equation
involving N
Variables
where
N
Equation
< N
variables
N
D
= N
variables
- N
equation
2. Bidirectional information flow
Material and energy balances for the process units are solved
given specifications for the inlet streams and equipment
parameters, along with selected variables of the outlet streams
The unknown variables to be computed are usually those of the
outlet stream (flowrates and compositions)
Whenever stream variable is altered adjacent process units are
recomputed. This causes the information to flow in parallel to the
material stream when a unit downstream is recomputed, or
opposite to the material stream when unit upstream is
recomputed
Unit Subroutines (Cont.)
3. Control blocks design specifications
All simulators provide a facility for iterative adjustment of the
variables and parameters that are permitted to be specified so as
to achieve the desired specifications
Guesses are made (manipulated variables) simulation calculation
are performed control subroutine compares the calculated value
with desired specification (set points) errors detected control
subroutine prepares a new guesses using numerical method
The procedure is analogous to that performed by feedback
controllers it is common to refer to these convergence as
feedback control subroutines
4. Calculation order
In process simulators, unit are computed one in a time
calculation order is automatically computed to be consistent with
flow of information in simulation flowsheet
Variables of process feed streams are specified and information
flow parallel to the material flows (calculation proceed from unit
to unit)
1. Simpler distribution fractional conversion (extents of reaction) are
known, split reaction are specified, and no purge streams,
flowrates of the species in the recycle streams can be calculated
directly (without iteration)
2. Reaction operation involve reversible reactions (competing
reaction), split fraction of species leaving separators are complex
function of operating conditions and purge streams exist, iterative
calculation are necessary
3. Simulation flowsheets usually contain information recycle loop
cycles for which too few stream variables are known to permit
equation for each unit to be solve independently
4. Tear stream guesses one solution technique in recycle loop
information passes from unit to unit until new value of variables of
tear stream are computed, new values are used to repeat
calculation until convergence tolerances are satisfied
5. In process simulator, recycle convergence unit are inserted into
tear stream convergence unit use convergence subroutines to
compare newly computed variables with guessed value and to
compute new guess value when two stream are not identical
heater Mixer Reactor DISTL
Conv unit
(Recycle)
Newly computed
variables
Guess Value
1. Involves separation of mixture consisting of HCl,
benzene and monochlorobenzene (MCB), effluent
from reactor to produce MCB by chlorination of
benzene
2. To obtain nearly pure HCl, benzene and MCB can
be absorbed in absorber
3. Benzene and MCB have significantly different
boiling points, they can be separated by
distillation
Monochlorobenzene Separation
Process
Feed is partially vaporised in preheater, H1, separated into two
phases in flash vessel, F1. The vapour from F1 sent to absorber, A1,
where most of HCl vapour passes through, but benzene is largely
absorbed using recycled MCB as absorbent. Liquid effluent from F1
and A1 are combined, treated to remove remaining HCl with
significant losses of benzene and MCB, distilled in D1 to separate
benzene from MCB. Distillate rate is set equal to benzene flowrate
in feed in D1, reflux ratio is adjusted to obtain indicate MCB
impurity in distillate. Bottoms are cooled to 120
o
F in heat
exchanger, H2, after one third of the bottom is removed as MCB
product, with remain two third recycled to absorber. Fraction recycle
is specified during distribution of chemicals in process synthesis,
with temperature of recycle, in an attempt to absorb benzene
without sizable amount of HCl. Temperature of stream S02 is
specified to generate adequate amount of vapour, 3 equilibrium
stages are judged to be sufficient for the absorber, and number of
stages and reflux ratio are estimated for distillation column.
1. The simulator used: ASPEN PLUS
2. Unknown temperatures and flowrates determined
by satisfying the mass and energy balances
3. MCB separation process is simulated in steady
state
4. By using simulator, it also calculate equipment
size and estimate capital cost
5. Then, profitability will be performed
6. Process controllers are added and their response
to various disturbances are computed using
HYSYS in dynamic mode
1. Task-integration step of process synthesis equipment items are
selected, key decision are made regarding whether they operate in
continuous, batch or semicontinuous modes
2. When throughput is small (on laboratory scale) continuous
operation is difficult and impractical to maintain, it is simpler and
more profitable to complete a batch in hours, days or weeks
3. Larger throughput multiple products are produced, with variably
sized orders received regularly, batch processes offer ease of
switching from production of one product to another flexibility
which is more difficult to achieve in continuous operation
4. Batch process simulator BATCH PLUS; SUPERPRO DESIGNER and
etc
5. Carried out mass and energy balances, prepare an operating
schedule in form of Gantt chart for process
6. After the equipment and operating cost is estimated, profitability
measure are computed, batch operating parameters and
procedures can be varied to increase the profitability of the design
1. Steady-state simulation of continuous processes
convenient to convert from a process flowsheet to
simulation flowsheet
2. Simulation flowsheet arcs represent stream that convey
the batches from equipment item to equipment item
3. Each arc bears stream name and represent transfer of
information associated with each stream mass of each
species per batch, temperature, pressure, density and
other physical properties
4. Icon represent models for each of the equipment items
5. Simulation of batch processes involve sequence of
process operations, which specified by designer
6. These operations are defined as recipe or campaign for
each equipment item, involve charging chemical into
vessel, processing the chemical removing chemical from
vessel and cleaning vessel
1. Refer to textbook pg 140 table 5.2 (old
version pg 147 table 4.2)
2. For each equipment, engineer must
specified the details of its operation
specification of charging, processing,
emptying and cleaning
1. SUPERPRO DESIGNER
Flowsheet is defined by engineer either batch or continuous
Batch mode stream results are reported on per-batch
basis, even for stream associated with continuous process
in batch flowsheet
Each equipment designated as operating in
batch/semicontinuous or continuous mode
Scheduling information must be included for all items
designated as operating as batch/semicontinuous
Semicontinuous units operate continuously while utilised
but shut down between uses
Equipment items designated as continuous are assumed to
operate at all time and excluded from operation schedule
SUPERPRO in continuous mode stream are reported per-
hour basis, scheduling information not required, no overall
batch time is calculated
2. BATCH PLUS
Stream values are reported on per-batch basis
Continuous operations can be inserted
A feed is loaded, vessel is filled to its surge volume, and
effluent stream immediately begins to transfer product
downstream
3. SUPERPRO and BATCH
Caution must be exercised when introducing continuous
operation into batch processes no warning are provided
when continuous process unit is running dry
When feed to continuous unit runs dry, simulator assumes
that this unit is shut down and restarted when feed returns
this operation is infeasible for many units such as
distillation column and chemical reactors
Advantage of adding continuous operation arises when
process bottleneck is transferred to continuous unit.
Continuous unit is always in operation, batch cycling is
avoided