European Symposium on Computer Aided Process Engineering-12, 35 European Symposium of the Working Party on Computer Aided Process Engineering

1059 Pages·2002·67.29 MB·English

by  Johan Grievink and Jan van Schijndel (Eds.)

EUROPEAN SYMPOSIUM ON
COMPUTER AIDED PROCESS
ENGINEERING -12
COMPUTER-AIDED CHEMICAL ENGINEERING
Advisory Editor: R. Gani
Volume 1: Distillation Design in Practice (L.M. Rose)
Volume 2: The Art of Chemical Process Design (G.L. Wells and L.M. Rose)
Volume 3: Computer Programming Examples for Chemical Engineers (G. Ross)
Volume 4: Analysis and Synthesis of Chemical Process Systems (K. Hartmann and
K. Kaplick)
Volume 5: Studies in Computer-Aided Modelling. Design and Operation
Part A: Unite Operations (I. PallaiandZ. Fonyo, Editors)
Part B: Systems (I. Pallai and G.E. Veress, Editors)
Volume 6: Neural Networks for Chemical Engineers (A.B. Bulsari, Editor)
Volume 7: Material and Energy Balancing in the Process Industries - From Microscopic
Balances to Large Plants (V.V. Ververka and R Madron)
Volumes: European Symposium on Computer Aided Process Engineering-10
(S. Pierucci, Editor)
Volume 9: European Symposium on Computer Aided Process Engineering-11
(R. Gani and D.B. Jorgensen, Editors)
Volume 10: European Symposium on Computer Aided Process Engineering-12
(J. Grievinkand J. van Schijndel, Editors)
COMPUTER-AIDED CHEMICAL ENGINEERING, 10
EUROPEAN SYMPOSIUM ON
COMPUTER AIDED PROCESS
ENGINEERING -12
35"** European Symposium of the Working Party on Computer Aided
Process Engineering
ESCAPE-12,26 - 29 May, 2002, The Hague, The Netherlands
Edited by
Johan Grievink
Delft University of Technology
Faculty of Applied Sciences
Department of Chemical Technology
Julianalaan 136
2628 BL Delft, The Netherlands
Jan van Schijndel
Shell International Chemicals
BadhuiswegS
1031 CM Amsterdam, The Netherlands
2002
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Preface
This book contains papers presented at the 12th European Symposium on Computer
Aided Process Engineering (ESCAPE-12) held in The Hague, The Netherlands, from
May 26-29, 2002. ESCAPE-12 is the 35th event of the Working Party on Computer
Aided Process Engineering (CAPE) of the European Federation of Chemical
Engineering (EFCE). The first event on computer applications in the chemical industry
organised by the CAPE Working Party was in Tutzing, Germany in 1968. The common
symposium name of ESCAPE was adopted in 1992 and started at Elsinore, Denmark,
that year. The most recent symposia were organised in Kolding, Denmark, 2001
(ESCAPE-11), in Florence, Italy, 2000 (ESCAPE-10) and in Budapest, Hungary, 1999
(ESCAPE-9).
The ESCAPE series serves as a forum for bringing together scientists, students,
engineers and managers from academia and industry, which are interested in CAPE.
The scientific aim of this series is to present and review the latest developments in
CAPE or Systems Process / Product Engineering. This research area bridges
fundamental sciences (physical, chemical and biological) with the various aspects of
process and product engineering.
The objective of ESCAPE-12 is to highlight advances made in developments and
innovative use of computing methods and information technology tools on five specific
technical themes:
Integrated Product and Process Design, Process Synthesis and Plant Design, Process
Dynamics and Control, Manufacturing and Plant Operations, Computational
Technologies.
The advances in CAPE technology have implications for the chemical engineering
profession in general; hence the sixth theme addresses: Sustainable CAPE education
and careers for chemical engineers.
The papers at ESCAPE-12 are arranged in order of the above six themes. A total of 167
papers, consisting of 7 keynote and 160 contributed papers are included in this book. All
papers have been reviewed and we are very grateful to the members of the international
scientific committee for their evaluations, comments and recommendations. It was an
intensive task since we started with 369 submitted abstracts. The selection process
involved review of abstracts, review of manuscripts and final acceptance of the revised
manuscripts.
This book is the third ESCAPE Symposium Proceedings included in the series on
Computer Aided Chemical Engineering. Again, we hope it will serve as a valuable
reference document to the scientific and industrial community and that it will
contribute to the progress in computer aided process and product engineering.
Johan Grievink
Jan van Schijndel
VI
International Scientific Committee
J. Grievink (The Netherlands, Chairman)
J. van Schijndel (The Netherlands, Co-chairman)
J. Aittamaa (Finland) Z. Kravanja (Slovenia)
T. Backx (The Netherlands) J-M. LeLann (France)
A. Barbosa-Pavoa (Portugal) C. Pantelides United Kingdom)
B. Betlem (The Netherlands) T. Perris (United Kingdom)
D. Bogle (United Kingdom) S. Pierruci (Italy)
R. Boom (The Netherlands) H. Pingen (The Netherlands)
T. van Boxtel (The Netherlands) E. Pistikopoulos (United Kingdom)
B. Braunschweig (France) L. Puigjaner (Spain)
A. Dimian (The Netherlands) H. Schoenmakers (Germany)
S. Engell (Germany) A. Schuppert (Germany)
Z. Fonyo (Hungary) P. Seferlis (Greece)
R. Gani (Denmark) N. Shah (United Kingdom)
S. Grootwassink (The Netherlands) S. Skogestad (Norway)
G. Heyen (Belgium) E. S0rensen (United Kingdom)
P. ledema (The Netherlands) M. vander StappenI (The Netherlands)
S. B. J0rgensen (Denmark) P.Verheijen (The Netherlands)
X. Joulia (France) J-W. Verwijs (The Netherlands)
H. Kramer (The Netherlands) S. de Wolf (The Netherlands)
Local Organising Committee
J. van Schijndel (Chairman, Shell International Chemicals)
J. Grievink (Co-chairman, Delft University of Technology)
T. van Boxtel (Wageningen Agric. Univ.) M. Meeuse (Delft Univ. of Techn.)
P. Herder (Delft Univ. of Tech.) H. Roeterink (Delft Univ. of Tech.)
J. van der Kamp (Congress Office KIVI) M. vander Stappen (Unilever/Best Foods)
E. Kieffer (Ned. Procestechnologen)
Conference Secretariat
Congress Office, KIVI
Prinsessegracht 23,
P.O. Box 30424
2500 GK The Hague
The Netherlands
Tel.[phone]
Fax.+ 3170 3919840
E-mail: [email protected]
Vll
Contents
Keynote Papers
Drinkenburg, B.
Sustainable CAPE-education and careers for chemical engineers 1
Kaibel, G., Schoenmakers, H.
Process Synthesis and Design in Industrial Practice 9
Kussi, J., Feme, R., Schuppert, A.
Process Software in the Chemical Industry- the Challenge of Complexity 23
Luyben, M.L.
Designing Industrial Processes for On-Aim Product Quality Control 31
Marquardt, W.
Adaptivity in Process Systems Modeling 42
Skogestad, S.
Plantwide control: towards a systematic procedure ^7
Stockill, D.
Decision Confidence - Handling Uncertainty through the Plant Life Cycle using
Statistics and Datamining 70
Contributed Papers
Integrated product and process design
Eden, M.R., Jergensen, S.B.,Gani, R.,E1-Halwagi M.
Property Integration - A New Approach for Simultaneous Solution of Process and
Molecular Design Problems 79
Jadhav, N.Y., van der Stappen, M.L.M., Boom, R., Bierman, G., Grievink, J.
Mass Balance and Capacity Optimisation in the Conceptual Design of Processes for
Structured Products 85
Jesus, S.S., Franco, T.T., Maciel Filho, R., Shimono, F.N., Sousa, R.R.
Cappi, A., Stein, G.C.
Enzyme conformational predictions by molecular modeling 91
Klepeis, J.L., Floudas, C.A.
ASTRO-FOLD: Ab-initio Secondary and Tertiary Structure Prediction in Protein
Folding 97
Korevaar, G., Harmsen, G.J., Lemkowitz, S.M.
Incorporation of Sustainability Demands into the Conceptual Process Design
Phase of Chemical Plants 103
Krishna, R.
Multi-scale modeling strategy for separation ofalkane mixtures using zeolites 109
Linke, P., Kokossis, A.
Simultaneous synthesis and design of novel chemicals and chemical process
flowsheets 115
Mizsey, P., Szanyi, A., Raab, A., Manczinger, J., Fonyo, Z.
Intensification of a solvent recovery technology through the use of hybrid
equipment 121
Vlll
Montastruc, L., Azzaro-Pantel, C, Biscans, B., Davin, A., Pibouleau, L.,
Domenech, S.
A global optimization technique for Solid-Liquid Equilibrium calculations:
application to calcium phosphate precipitation 127
Niklasson Bjc)m, I., Folestad, S., Johansson, M., Josefsson, L., Blomberg ,A.
Multivariate analysis for product design and control 133
Oddone, S., Iribarren, O.A.
A Modeling Formalism for Multiproduct and Multiplant Batch Processes 139
Process Synthesis / Plant Design
Corvalan, S.M., Ortiz, I., Eliceche, A.M.
Design of a Membrane Process in a Counter current Operation for the Treatment of
Industrial Effluents 145
Almeida-Rivera, C.P., Grievink, J.
Feasibility of equilibrium-controlled reactive distillation processes: application of
residue curve mapping 151
Avramenko, Y., Nystrom, L., Kraslawski, A.
Selection of Internals for Reactive Distillation Column - Case-based Reasoning
Approach 157
Bansal, V., Ross, R., Perkins, J.D., Pistikopoulos, E.N., Wolf, S. de
An Industrial Case Study in Simultaneous Design and Control using Mixed-Integer
Dynamic Optimization 163
Caballero, J.A., Grossmann, I.E.
Logic-Based Methods for Generating and Optimizing Thermally Coupled
Distillation Systems 169
Dimian, A.C., Omota, F., Bliek, A.
Entrainer-Assisted Reactive Distillation: Application to Process Synthesis for Fatty
Esters 175
Druart, F., Rouzineau, D., Reneaume, J.M., Meyer, M.
Catalytic Distillation Modeling 181
Espinosa, J.
Integration of Reaction and Separation in a Batch Extractive Distillation Column
with a Middle Vessel 187
Frausto-Hemandez, S., Rico-Ramirez, V., Hernandez-Castro, S., Jimenez, A.
MINLP Heat Exchanger Network Design Incorporating Pressure Drop Effects 193
Goel, H.D., Herder, P.M., Weijnen, M.P.C., Grievink, J.
Hierarchical Approach for Selecting Uncertain Parameters at the Conceptual
Stage of Design 199
Grosch, R., Monnigmann, M., Briesen, H., Marquardt, W.
Optimal design of a continuous crystallizer with guaranteed parametric robust
stability 205
Holland, S.T., Tapp, M., Hildebrandt, D., Glasser, D.
Modeling Coupled Distillation Column Sections Using Profile Maps 211
Kauchali, S., Hausberger, B., Mitova, E., Hildebrandt, D., Glasser, D.
Automating Reactor Network Synthesis: Finding a Candidate Attainable Region for
Water-Gas Shift(WGS) Reaction 217
Kim, J.K., Smith, R.
Integrated Design of Cooling Water Systems 223
IX
Kiss, A.A., Bildea, C.S., Dimian, A.C., ledema, P.D.
Non-linear behaviour of PFR-separator-recycle polymerization systems 229
Koeijer, G.M. de, Kjelstrup, S.
Application of Transport Equations for Heat and Mass Transfer to Distillation of
Ethanol and Water 235
Li, X.N., Rong, B.G., Kraslawski, A.
Synthesis of Reactor/Separator Networks by the Conflict-based Analysis Approach 241
Linke, P., Kokossis, A.
Systematic decision-making technology for optimal multiphase reaction and
reaction/reactive separation system design 247
Ligero, E.L., Ravagnani, T.M.K.
Alternative Processes For Production Of Anhydrous Ethanol Through Salt
Extractive Distillation With Reconstitution Of The Separation Agent 253
Meeuse, F.M., Grievink, J.
Optimum Controllability of Distributed Systems based on Non-equilibrium
Thermodynamics 259
Nappa, M., Karhela, T., Hurme, M.
Internet-based equipment and model gallery 265
O'Grady, A.R.F., Bogle, I.D.L., Fraga, E.S.
Interval analysis for identification and bounding of potential process structures in
early design 271
Ojeda, J.A.., Ramirez, J., Krishna, R.
Hydrodesulphurization ofgasoils: Advantages of counter- current gas-liquid
contacting 277
Oldenburg, J., Marquardt, W., Heinz, D., Leineweber, D.
Mixed-logic dynamic optimization applied to configuration and sequencing of batch
distillation processes 283
Papaeconomou, I., Gani, R., Jorgensen, S.B.
A General Framework for the Synthesis and Operational Design of Batch Processes 289
Patsiatzis, D.I., Papageorgiou, L.G.
Safe Process Plant Layout using Mathematical Programming 295
Perez-Cisneros, E.S., Granados-Aguilar, S.A., Huitzil-Melendez, P.,
Viveros-Garcia, T.
Design of a Reactive Distillation Process For Ultra-Low Sulfur Diesel Production 301
Pierucci, S., Manca, D., Galli, S., Mangione, M.
A Generalised Program for Fuel Cell Systems Simulation 307
Pinto, R.T.P., Lintomen, L., Broglio, M.L, Luz Jr., L.F.L., Meirelles, AJ.A.
Maciel Filho, R., Wolf-Maciel, M.R.
Reactive extraction process for concentrating citric acid using an electrolyte mixed
solvent 313
Rong, B.G., Kraslawski, A.
Synthesis ofthermodynamically efficient distillation schemes for multicomponent
separations 319
Roquet, D., Cezac, P., Roques, M.
Modelling of Multicomponent Reactive Absorption using Continuum Mechanics 325
Schenk, M., Sakizlis, V., Perkins, J.D., Pistikopoulos, E.N.
Optimization-based Methodologies for Integrating Design and Control in
Cryogenic Plants 331