PPDSymposium2012

ModelingandSimulationinIndustry
ProcessOptimization,NovelandSustainableProcessDevelopment

OctaveLevenspiel Association
ProcessandProductDesign (PPD)
DepartmentofChemicalEngineeringandChemistry TUEindhoven

Friday,16March2012
10:0017:00
Filmzaal,deZwarteDoos TUEindhoven

Prof.ir. JohanGrievink (TUDelft)

Moderatorofsymposium
Keynotespeaker:Prof.ir. JanHarmsen (Harmsen ConsultancyB.V.)
ImportanceofModelingandSimulationintheProcessIndustry
Dr.ir.TonyKiss(AkzoNobel)
NovelIntegratedReactiveSeparationProcesses
Dr.ir.MathieuWesterweele(Mobatec)
ConstructionandApplicationofDynamicModelswithMobatec Modeller
Ir.Gerben D.Mooiweer (Douwe Egberts,SaraLee)
ApplicationofMultivariateDataAnalysisinFoodIndustry
Dr. ir.EdwinZondervan(TU/e)
Model Building forOptimization
Ir.JanvanSchijndel(ShellGlobalSolutions)
DevelopmentProcessSynthesisToolforGasToLiquidsPlants
 TABLE OF CONTENT
PPDSymposium2012
ModelingandSimulationinIndustry

Foreword 1
Designer Association Octave Levenspiel 2
Program of the day 7

Prof. ir. Johan Grievink (TUDelft) 8

Prof. ir. Jan Harmsen (Harmsen Consultancy B.V.) 9

Importance of Modeling and Simulation in the Process Industry

Dr. ir. Tony Kiss (AkzoNobel) 10

Novel Integrated ReactiveSeparation Processes

Dr. ir. Mathieu Westerweele (Mobatec) 11

Construction and Application of Dynamic Models

with Mobatec Modeller
Ir. Gerben D. Mooiweer (Douwe Egberts, SaraLee) 12

Application of Multivariate Data Analysis in Food Industry

Dr. ir. Edwin Zondervan (TU/e) 13

Model Building for Optimization

Ir. Jan van Schijndel (Shell Global Solutions) 14

Development Process Synthesis Tool for GasToLiquids Plants

Acknowledgement 15
 FOREWORD
PPDSymposium2012
ModelingandSimulationinIndustry
Dear Participants,

On behalf of the symposium committee I would like to welcome you to our

symposium.

As a PDEng trainee at the postmasters program Process and Product Design

(PPD), I found a big interest from myself personally as well as from my
colleagues at PPD in the area of process modeling and simulation. There
have always been challenges and curiosity in solving complex problems
related to this topic. Besides, we believe that process modeling and
simulation have been playing an important role in industry, especially in
process optimization and development of novel and sustainable processes.
Therefore, we are very keen to bring this topic into a oneday symposium,
titled Modeling and Simulation in Industry: Process Optimization, Novel and
Sustainable Process Development.

This time, we are very honored to have excellent speakers, being experts in
their fields. It is a privilege for us to combine various topics which cover the
application of software for modeling and simulation in industrial cases, such
as process synthesis and integration, dynamic modeling, reactive separation,
process optimization, and a special application in food industry. We hope this
symposium can be a motivation towards ideas which lead to leaps in process
optimization, novel and sustainable process development

Finally, we hope you have a fruitful time in this symposium!

Burhannudin Sutisna, MSc.

Chairman of the organizing committee

Committeemembers:

Shahid Rashid MuhammadUsman

Irmak Kocabas Chirag Dave
Sharath Daida Chuanbo Gao

1
 Designer Association
OCTAVE LEVENSPIEL
PPDSymposium2012
ModelingandSimulationinIndustry

The Designers Association Octave Levenspiel was founded in 1996 by a

group of TwAIOs, nowadays called TOIOs (Technisch Ontwerper In
Opleiding) from the two years course Process and Product Design. This
course is held by Chemical Engineering and Chemistry department and is
meant to offer graduate students the chance to broaden their views and
deepen their knowledge in the field of process and product design.

The designers association is named after Octave Levenspiel who is a

professor emeritus at Oregon State University and is well known as an author
of several books in the field of chemical reaction engineering, for example
the famous Chemical Reactor Omnibook.

Not long after the association was established, its members understood the
importance of organizing activities for TOIOs by TOIOs. The main purpose of
the association is to get to know each other and through that achieve and
maintain a pleasant working atmosphere. There are various committees in
the association which are responsible for this. One of the other important
goals of the organization is of course to facilitate the communication
between former and current TOIOs.

The Symposium Committee has been working for the past few months to
organize this symposium on Modeling and Simulation in Industry: Process
Optimization, Novel and Sustainable Process Development. It is believed that
this is a valuable opportunity for industries and academic centers to meet
and share ideas and undergraduate and post graduate students can take
advantage from this dynamic ambient as well.

We wish you a pleasant time during the symposium.

On behalf of Octave Levenspiel Designers Association,

Ashkan Tansaz, MSc.

Chairman

2
 Program of the Day
PPDSymposium2012
ModelingandSimulationinIndustry

10.00 10.15 Reception and registration

10.15 10.30 Opening of the symposium
Prof. Dr. Jan Meuldijk
(Scientific Director of PPD)
10.30 11.30 Importance of Modeling and Simulation
in the Process Industry
Keynote Speaker: Prof. ir. Jan Harmsen
(Harmsen Consultancy B.V.)
11.30 12.15 Novel Integrated ReactiveSeparation
Processes
Dr. ir. Tony Kiss (AkzoNobel)
12.15 13.15 Lunch Break
13.15 14.00 Construction and Application of Dynamic
Models with Mobatec Modeller
Dr. ir. Mathieu Westerweele (Mobatec)
14.00 14.45 Application of Multivariate Data Analysis
in Food Industry
Ir. Gerben D. Mooiweer
(Douwe Egberts, SaraLee)
14.45 15.00 Coffee Break
15.00 15.45 Model Building for Optimization
Dr. ir. Edwin Zondervan (TU/e)
15.45 16.30 Development Process Synthesis Tool for
GasToLiquids Plants
Ir. Jan van Schijndel (Shell Global Solutions)
16.30 16.45 General Discussion
16.45 17.00 Closing and Drinks

7
 ModeratorofSymposium:Prof.ir. JohanGrievink
TUDelft
PPDSymposium2012
ModelingandSimulationinIndustry

Johan Grievink (1946) is an emeritus professor in chemical process

engineering of TU Delft. Modeling, simulation and optimization for
synthesis, analysis and optimal operation of chemical manufacturing
processes have been his bread and butter over the past forty years. This
main theme in his career started in 1971 with Shell Research,
Amsterdam, as a scientistengineer in mathematical modeling and
optimization for process development, design, control and operations.
In 1992 he moved to Delft University of Technology to become a full
professor in Process Systems Engineering in the department of
Chemical Engineering. After retiring in 2007 his current professional
ambition is to make scientific contributions to process development
and design, leading to better sustainable chemical production cycles,
among others by cosupervising PDEng design projects.

8
 Keynote Speaker:Prof.ir. JanHarmsen
Harmsen ConsultancyB.V.
PPDSymposium2012
ModelingandSimulationinIndustry

Profile
Presentpositions
DirectorHarmsen ConsultancyB.V.
LeonardodaVinciChairSustainableChemicalTechnology,
UniversityGroningen
ChairmanDutchProcessTechnologyAssociation(NPT)
CochairmanEuropeanCongressChemicalEngineering
(ECCE9)2013,theHague,Netherlands

Previous positions:
1977 2010 Shell:Research,Development,Design,Startup,Process
intensificationdevelopment.
Book
JanHarmsen,et.al.SustainableDevelopmentintheProcessIndustries:Casesand
Impact, JohnWileyNewYork(2010).

ImportanceofModeling andSimulation intheProcess Industry

Prof.ir. JanHarmsen

The process industry has seen two types of developments in the last fifty years. One
development is the increased importance of the external factors safety, health,
environment, social acceptance and worldwide economic competition; typified by the
introduction of sustainable development.

The other development is the increased sophistication of process modeling and

simulation in all stages of research, development, startup and online optimization.
Modeling and simulation has advanced enormously in the chemical engineering
profession in the last 5 decades. It started in the sixties and took off in the seventies with
process models on mass transfer and reaction written in Fortran and Algol languages.
This main purpose of this modeling was unit optimization. In the eighties process flow
sheet packages such as ASPEN were introduced, by which whole processes with all unit
operations could be quickly modeled and optimized. In the nineties expert systems, such
as PROSYN appeared, by which conceptual process design, also called process synthesis,
could be quickly carried out, resulting in novel processes. In the first decade of this
century dynamic modeling for optimized design and control became standard. How both
developments interact with each other will be shown in the presentation.

9
 Dr.ir. TonyKiss
AkzoNobel
Profile
PPDSymposium2012

Tony Kiss started as a proactive member of the National

ModelingandSimulationinIndustry
Chemistry Olympic Team. Then he was awarded a MSc degree
in Chemical Engineering at BabesBolyai University of Cluj
Napoca, graduating as the best student at national level.
Afterward, he successfully earned a PhD in Chemical
Engineering at University of Amsterdam and worked as Post
Doctoral fellow at Delft University of Technology
(DeltChemTech), Unilever Food Research Center, and again at
University of Amsterdam.
Presently, Tony Kiss works as senior project leader in Separation Technology at AkzoNobel
Research, Development & Innovation Process Technology Expert Capability Group acting
as the key expert in distillation, reactiveseparations, and integrated sustainable processes
with 'green' attributes. During the last decade, he carried out more than 100 research &
industrial projects, supervised numerous graduation projects, while also publishing several
textbooks and over 50 scientific articles in peerreviewed journals.

FollowAkzoNobel onlineat: www.akzonobel.com/followus

FollowTonyKissonlineat: www.tonykiss.com

NovelIntegratedReactiveSeparationProcesses
Dr.ir. TonyKiss

In traditional chemical processes, reaction and separation are usually carried out in
different sections of the plant, use separate equipment and are often operated under
different conditions. The recent economic and environmental considerations have
encouraged industry to focus on technologies that are more efficient and require less
energy, at further reduced investment costs. Reactive distillation (RD) and dividingwall
column (DWC) are great examples of process intensification successfully applied already at
industrial scale.

In reactive distillation, significant benefits can be realized by using the reaction to improve
separation (e.g. overcoming azeotropes, reacting away contaminants, avoiding difficult
separations) or by using separation to improve reactions (e.g. enhancing overall rates,
overcoming reaction equilibrium limitations, improving selectivity) the maximum effect
being achieved when both aspects apply. Remarkable, DWC is the only known large scale
process intensification example where both capital and operating costs can be vastly
reduced (by 2540%), with the additional benefit of reducing also the required installation
space by up to 40%. Moreover, DWC is not limited to ternary separations only but it can be
used also in extractive or azeotropic separations.

DWC and reactive distillation are both improvements of traditional distillation units but at
the same time they correspond to two different ways of integration: separationseparation
and reactionseparation, respectively. However, the RD and DWC technologies can be
further integrated into a new concept called reactive dividing wall column (RDWC). With
this work we aim to present several examples of new processes based on RDWC, such as
the synthesis of dimethyl ether (DME) of biodiesel (FAME).

10
 Dr.ir. MathieuWesterweele
Mobatec
PPDSymposium2012
ModelingandSimulationinIndustry
Profile
During his PhD research project (successfully concluded in
April 2003) Mathieu Westerweele and prof. H.A. Preisig
developed a methodology for the rapid and systematic
construction of consistent dynamic process models. The
developed approach has proven itself as being very
efficient. Models are not only constructed much faster, but
they are also guaranteed to solve structurally and in most
cases also numerically.

The implementation of the modelling methodology (in Mobatec Modeller) has been
successfully used for over ten years in an industrial environment (mainly for constructing
models for operator training simulators). For a very large model of a complete methanol
production plant it was estimated that the time needed for modelling (including tuning of
all parts of the model) was cut down by a factor four!

Part of his time, Mathieu is involved with the PostMasters design course Process and
Product Design (PPD) at the Eindhoven University of Technology, as first year coordinator
and member of the Scientific Staff.

ConstructionandApplicationofDynamicModelswithMobatec Modeller
Dr.Ir. MathieuWesterweele

A chemical engineer is often asked to describe the dynamic and/or static behaviour of a
physical, chemical or biological process, because information about this behaviour is
needed for operations like analysis, control, design, research, simulation, optimization or
process operation. In order to analyse the behaviour of such a process, the engineer often
needs a mathematical representation of the physical and chemical and/or biological
phenomena taking place in it.

Mobatec Modeller is a software tool for constructing dynamic (and steadystate) process
models (based on first principles) of chemical, physical and/or biological processes of any
size from a single unit to entire processing plants. It is designed to effectively assist a
model designer in building and maintaining consistent models. The tool is now being used
to build very large dynamic process models of entire plants (resulting in more than 50.000
equations that need to be solved simultaneously). Userfriendliness, functionality and good
userassistance are a prerequisite for being able to manage such large models.

During the presentation several examples of applications of dynamic process models will
be demonstrated. Also a short introduction to the basics behind the development of
dynamic process models will be given.

11
 Ir.GerbenD.Mooiweer
Douwe Egberts,SaraLee
PPDSymposium2012
ModelingandSimulationinIndustry
Profile
Gerben Mooiweer graduated from the Eindhoven University of
Technology, Chemical Engineering and Chemistry department. He
joined Douwe Egberts R&D in 1977 as a technologist on coffee
roasting, decaffeination, nut fryer temperature control, rice drying
and various other projects focusing on mathematical modeling. In
his current job he is a statistical expert for the Douwe Egberts
R&D department in mathematical modeling and multivariate data
analyses.

Beside his work at Douwe Egberts he is a guest lecturer at the TU Eindhoven teaching
multivariate data analyses and MatLab courses.

ApplicationofMultivariateDataAnalysisinFoodIndustry
Ir.GerbenD.Mooiweer

Sensory quality plays a key role in food industry. Common sensory questions are: How
should I change my product to obtain a higher acceptance? or Is my product of a
constant quality? Sensory quality can be quantified in an objective way using sensory
attributes and sensory panels. This methodology typically results in datasets with many
variables. The modelling of these datasets requires the application of modern multivariate
data analysis tools like principle components analysis (PCA) and partial least squares
regression (PLS). Measuring and modelling the sensory quality of DE coffee will be the
main issue of this presentation.

12
 Dr.ir. EdwinZondervan
TU/e
Profile
PPDSymposium2012
ModelingandSimulationinIndustry
Edwin Zondervan was born on Februari 26, 1976 in Leeuwarden, the
Netherlands. In 1999 he obtained a bachelor degree in chemical
engineering with a specialization in process automation at
Noordelijke Hogeschool Leeuwarden. In November 2003 he
graduated from Groningen University with an M.Sc. in chemical
engineering. In November 2007 he obtained his Ph.D. at the
Dynamics and Control of Processes group of professor Roffel at
Groningen University. His PhD. work concerned modeling,
optimization and control of deadend membrane filtration of
surface water.
Edwin Zondervan has published in several journals and presented his work at different
conferences. He acts as reviewer for several journals (Journal of Membrane Science,
Computers and Chemical Engineering, Journal of Environmental Management, Industrial
Engineering & Chemistry Research, Separation and Purification Technology, Recent Patent
in Chemical Engineering). Edwin Zondervan is the organizer of a yearly minisymposium
RMCiPE (Rendezvous for Mathematics and Computers in Process Engineering), covering
typical process systems engineering topics. The symposium has been well visited (over 70
participants) and contained lectures from wellknown speakers. Currently he is working as
assistant professor at the Polymer Reaction Engineering Group of Eindhoven University. He
has been working as associate researcher with Prof. Luis Puigjaner (2008, Barcelona, Spain),
Prof. Ignacio Grossmann (2009, Pittsburgh, U.S.A.), Prof. Rafiqul Gani (2010, Lyngby,
Denmark) and Prof. Stratos Pistikopoulos (2011, London, UK). The research areas that are
currently of his interest are 1) Process integration/intensification, 2) process
design/synthesis, 3) Process optimization and control, 4) Process modeling and data
analysis.

ModelBuilding forOptimization
Dr.ir. EdwinZondervan

Mathematical models are very useful to obtain new insights into process behavior, but they
can also be used to optimize the performance or the design of the system of interest. In
this lecture I am going to explain some basics of mathematical programming and how it can
be used to solve chemical engineering optimization problems. I will discuss a number of
case studies that I have been working on with my team; the biorefinery (flowsheeting), the
oil industry (planning and scheduling), the specialties industry (column dimensioning), the
food industry (supply chain management) and the energy sector (the unit commitment
problem). In the end you may find that mathematical programming is not a pure science,
but that it is an art and that you require for each case a sufficient dose of creativity.

13
 Ir.JanvanSchijndel
ShellGlobalSolutionsInternationalBV
PPDSymposium2012
ModelingandSimulationinIndustry
Profile
Jan van Schijndel is a chemical engineer by training (TU/e) and
joined Shell 30 years ago. His career covers a broad range of
assignments including Research & Development, Technology,
Operations, Consultancy and Strategy within Shell's Lower
Olefins and Aromatics Business. He has also been responsible
for the development of Decision Support Systems including
methodologies and tools for Process Control, Plant Wide
Optimization, Business Optimization and Strategy Development.

Jan is currently Manager XTL Development with Shells Projects and Technology
organisation. In this role he works with Shell's Upstream Business on the development of
value propositions for Shell's GTL process, on the development of new process concepts
and the development of concept development support tools, like the process synthesis
tool.

DevelopmentProcessSynthesisToolforGasToLiquidsplants
Ir.JanvanSchijndel

Optimal synthesis of a GasToLiquid complex is complicated due to many degrees of

freedom in a highly constrained design space. One can choose between alternative,
competing syngas manufacturing technologies, different types of FischerTropsch
catalysts and reactors, with numerous connectivity options and a range of operational
conditions. On the other hand, the design space is confined by equipment, operational
and knowledge constraints. Furthermore, economic performance needs to be aligned
with carbon and energy efficiencies.

To support GTL process design activities a computational synthesis tool is under

development. Its purpose is to find and analyze the optimum structure and operational
conditions for a given market scenario. The process model covers alternative syngas
generation units and FischerTropsch reactors with an extensive syngas recycle structure.
The process units interact with the utility system, where power can be generated from
offgas and/or excess steam. The units are modeled in a reduced, inputoutput way by
algebraic equations, reflecting mass and energy balances and pressure effects. A
superstructure arises when considering multiple stages for FischerTropsch synthesis with
parallel reactors. The synthesis tool, implemented in AIMMS, is applied to a realistic
sample problem, showing profit optimization by varying the distribution of NG to syngas
generation units with different efficiencies. A sensitivity analysis is carried out by means
of Singular Value Decomposition of sensitivity matrices to find dominant patterns of
parametric influence on the optimum.

14
 Acknowledgement
PPDSymposium2012
ModelingandSimulationinIndustry
This symposium is organized by Octave Levenspiel, the designer association of the
postmaster Process and Product Design education. The organization of a
symposium deals with facing challenges and deadline. Therefore, constant effort is
required from the people involved. Nevertheless, the work was performed with
enthusiastic people in a pleasant atmosphere and lots of fun.

The organizing committee would like to thank in a special way the people who
directly or indirectly helped organizing the symposium Modeling and Simulation in
Industry: Process Optimization, Novel and Sustainable Process Development.

Our appreciation goes to all the speakers, who kindly accepted our invitation and
were willing to participate in the symposium. It is a privilege having important and
specialized people in respective field in our symposium program.

Sincere gratitude to Prof. Dr. Jan Meuldijk and Dr. Ir. Mathieu Westerweele who
supported our work with enthusiasm, creativity, optimism and valuable comments.
Also a special gratitude to our department secretary, Leontien Van EijkBonekamp,
for her extraordinary support for this symposium.

A special thank you to the department of Process and Product Design, ST

Department, SABIC, DSM, DOW, Purac, and Dosign Engineering for offering us a
financial support needed to organize the symposium.

Our appreciation also for all people that one way or another contributed in the
realization of the symposium.

Las but not least, gratitude to all the members of the symposium committee who
shared the wonderful experience of working together and have handled difficult
moments with professionalism and made the work more comprehensive.

The Organizing Committee

15
 PPDSymposium2012
ModelingandSimulationinIndustry

Matrix1.25
DenDolech2
5600MBEindhoven
Phone:+31(0)402475367
Fax:+31(0)402472878
email:octave@tue.nl
Website:http://www.octave.sai.tue.nl/symposium2012/