European Symposium on Computer Aided Process Engineering - 11, 34 European Symposium of the Working Party on Computer Aided Process Engineering

1205 Pages·2001·65.84 MB·English

by  Rafiqul Gani and Sten Bay Jørgensen (Eds.)

EUROPEAN SYMPOSIUM ON
COMPUTER AIDED PROCESS
ENGINEERING - 11
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: Unit Operations (1. Pallai and Z. Fony6, Editors)
Part B: Systems (1. 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. Veverka and F. Madron)
Volume 8: European Symposium on Computer Aided Process Engineering-10
(S. Pierucci, Editor)
Volume 9: European Symposium on Computer Aided Process Engineering-11
(R. Gani and S.B. J~rgensen, Editors)
COMPUTER-AIDED CHEMICAL ENGINEERING, 9
EUROPEAN SYMPOSIUM ON
COMPUTER AIDED PROCESS
ENGINEERING - 11
34 * European Symposium of the Working Party on Computer Aided
Process Engineering
ESCAPE- 11, 27-30 May, 2001, Kolding, Denmark
Edited by
Rafiqul Gani
Sten Bay Jorgensen
CAPEC, Technical University of Denmark,
Department of Chemical Engineering,
Building 229, DK- 2800 KGS, Lyngby,
Denmark
2001
Elsevier
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First edition 2001
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Preface
This book contains papers presented at the 11 th European Symposium of Computer Aided
Process Engineering (ESCAPE-11), held in Kolding, Denmark, from May 27-30, 2001. The
ECSAPE series started in 1992 at Elsinore, Denmark, on a strong foundation of 23 events of
the European Federation of Chemical Engineers (EFCE) Working Party on Computer Aided
Process Engineering (CAPE). The first event on computer applications was organized by the
CAPE working party in Tutzing, Germany in 1968. ESCAPE-11 is the 34 th event of the CAPE
Working Party. The most recent symposia were organised in Florence, Italy 2000 (ESCAPE-
10), Budapest, Hungary 1999 (ESCAPE-9) and Brugge, Belgium 1998 (ESCAPE-8).
The ESCAPE series serves as a forum for bringing together scientists, researchers, managers,
engineers, and students from academia and industry, who are interested in CAPE. The
scientific aim of the symposium is to present and review the latest developments in CAPE or
Systems (Process/Product) Engineering. This research area bridges fundamental chemical and
biological sciences with various aspects of process and product engineering. The objective of
ESCAPE-11 is to highlight the use of computers and information technology tools, that is, the
traditional CAPE topics as well as the new CAPE topics of current and future interest.
The theme for ESCAPE-11 is Process and Tools Integration with emphasis on hybrid
processing, cleaner and efficient technologies (process integration), computer aided systems
for modelling, design, synthesis, control (tools integration) and industrial case studies
(application of integrated strategies). The papers at ESCAPE-11 are arranged in terms of the
following themes: computer aided modelling, computer aided design/synthesis, computer
aided control/operations, computer aided manufacturing, process & tools integration, and,
new frontiers in CAPE.
A total of 188 papers, consisting of 5 keynote and 183 contributed papers are included in this
book. All the papers have been reviewed and we thank the members of the international
scientific committee for their evaluations, comments and recommendations. It was a very
difficult task since we started with more than 450 submitted abstracts. The selection process
involved review of abstracts, review of manuscripts and final selection of the revised
manuscript.
We hope that this book 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.
Rafiqul Gani
Sten Bay JCrgensen
vi
International Scientific Committee
R. Gani (Denmark, Co-chairman)
S. B. JCrgensen (Denmark, Co-chairman)
J. Aittamaa (Finland) Y. Natori (Japan)
D. Bogle (United Kingdom) C. SCrlie (Norway)
B. Braunschweig (France) S. Pierucci (Italy)
D. Cameron (Norway) P. Pilavachi (Belgium)
M. Doherty (USA) E. N. Pistikopoulos (United Kingdom)
Z. Fonyo (Hungary) M. Pons (France)
U. Gren (Sweden) L. Puigjaner (Spain)
X. Joulia (France) H. Schmidt-Traub (Germany)
B. Kalitventzeff (Belgium) S. Skogestad (Norway)
Z. Kravanja (Slovenia) E. L. S~rensen (Denmark)
D. R. Lewin (Israel) J. Van Schijndel (The Netherlands)
T. Malik (United Kingdom) J. Vinson (USA)
Y. Naka (Japan)
National Organizing Committee
R. Gani (CAPEC-DTU, Co-chairman)
S. B. JCrgensen (CAPEC-DTU, Co-chairman)
B. Christensen (Kemira Agro Oy) H. K. Nielsen (Novo Nordisk)
N.-J. Friis (Cheminova Agro) M. B. Sommer (H. Lundbeck)
E. Hansen (I~vens Kemiske Fabrik) E. L. SCrensen (Haldor TopsCe)
S. W. Jensen (Novo Nordisk) L. Wiebe (Danisco Ingredients)
G. Jonsson (KT-DTU) M. R. Eden (CAPEC-DTU)
L. B. J Crgensen (Danisco Sugar) P. M. Harper (CAPEC-DTU)
C. Koch (Statoil Raffinaderiet)
Conference Secretariat
Computer Aided Process Engineering Center (CAPEC)
Department of Chemical Engineering
Building 229, Technical University of Denmark
DK-2800 Kongens Lyngby, Denmark
Phone: [phone], Fax: [phone]
E-mail: capec @kt.dtu.dk
URL: http://www.capec.kt.dtu.dk
vii
Contents
Keynote Papers
Samad, T., Cofer, D.
Autonomy in automation: trends, technologies, tools
Pantelides, C.C.
New Challenges and Opportunities for Process Modelling 15
Cordiner, J.L.
Use of Prediction and Modeling in Early Evaluation of Process Options 27
Ng, K.M.
A Multiscale-Multifaceted Approach to Process Synthesis and Development 41
Stephanopoulos, G., Schmitt, W.A.
System Biology: an Emerging Theme in Biological Research 55
Contributed Papers
Computer Aided Systems for Modeling
Alexandridis, A.P., Siettos, C.I., Sarimveis, H.K., Boudouvis, A.G., Bafas, G.V.
Modelling of Nonlinear Process Dynamics using Kohonen's Neural Networks,
Fuzzy Systems and Chebyshev Series 69
Barnard, J.P., Aldrich, C.
A Systematic Methodology for Empirical Modeling of Non-linear State Space
Systems 75
Barnard, J.P., Aldrich, C.
Modelling of Air Pollution in an Environmental System by use of Non-linear
Independent Component Analysis 81
Batres, R., Aoyama, A., Naka, Y.
A Life-cycle Approach for Model Reuse and Exchange 87
Baur, R., Taylor, R., Krishna, R.
Dynamics of a Reactive Distillation Column for TAME Synthesis Described by a
Non-equilibrium Stage Model 93
Berezowski, M., Jacobsen, E.W., Grzywacz, R.
Dynamics of Heat-integrated Heterogeneous Tubular Reactors with Axial Heat
Conductivity in Reactor Wall 99
Bj6rn, I.N., Gren, U., Svensson, F.
Simulation and Experimental Study of Intermediate Heat Exchange in a Sieve Tray
Distillation Column 105
Cameron, D.B., Odegaard, R.J., Glende, E.
On-line Modelling in the Petroleum Industry: Successful applications and future
perspectives 111
Charles, A.S., Azzaro-Pantel, C., Domenech, S., Pibouleau, L., Floquet, P.,
Jaume, D., Tilhac, F.
Implementation of a Failure Model Validation Technique using a Discrete-event
Batch Simulator: Application to semiconductor manufacturing 1 t 7
viii
Costa Jr., E. F., Vieira, R. C., Secchi, A. R., Biscaia Jr., E. C.
Automatic Structural Characterization of DAE Systems 123
Eliceche, A.M., Corvalfin, S.M., Ortiz, I.
Steady State Analysis of Membrane Processes for the Treatment of Industrial
Effluents 129
F araoni, V., Mancusi, E., Russo, L., Continillo, G.
Bifurcation Analysis of Periodically Forced Systems via Continuation of a Discrete
Map 135
Galen, O., Palazoglu, A., Romagnoli, J.A.
Modelling and Optimisation of a High Density Fermentation Process using Multi-
linear Models: An Application to a Bench Scale Bioreactor 141
Garea, A., Marqu6s, J.A., Hechavarria, T.L., Irabien, A.
Simulation of the FGD In-duct Injection Technology using Complex Kinetic Models 147
Harding, S.T., Floudas, C.A.
EQUISTAR: Reliable Software for Design of Nonideal and Reactive Systems 153
Hjertager, L.K., Hjertager, B.H., Solberg, T.
CFD Modeling of Fast Chemical Reactions in Turbulent Liquid Flows 159
K6hler, R., Rieber, J., Zeitz, M.
Symbolic Discretization of Distributed Parameter Process Models on Self-adaptive
Moving Grids 165
Kohout, M., Schreiber, I., Kubicek, M.
Computational Tools for Nonlinear Dynamical and Bifurcation Analysis of
Chemical Engineering Problems 171
Kosek, J., Stepanek, F., Novak, A., Grof, Z., Marek, M.
Multi-scale Modeling of Growing Polymer Particles in Heterogeneous Catalytic
Reactors 177
Kr~xner, S., Gesthuisen, R.
Semi-Batch Emulsion Copolymerisation: A Gereral Model for a Copolymer Formed
from n Monomer Units 183
Kristensen, N.R., Madsen, H., Jorgensen, S.B.
Computer Aided Continuous Time Stochastic Process Modelling 189
Lakner, R., Hangos, K.M., Cameron, I.T.
Assumption Retrieval from Process Models 195
Lim, Y.I., Le Lann, J.M., Meyer, X.M., Joulia, X.
Dynamic Simulation of Batch Crystallization Process by using Moving Finite
Difference Method 201
Liu, Y., Jacobsen, E.W.
Effective Model Reduction for Analysis of Distributed Parameter Systems 207
Lucia, A., Yang, F.
Global Terrain Methods for Chemical Process Simulation 213
Lovik, I., R~nnekleiv, M., Olsvik, O., Hertzberg, T.
Estimation of a Deactivation Model for the Methanol Synthesis Catalyst from
Historic Process Data 219
Mancusi, E., Maffettone, P.L., Gioia, F., Creseitelli, S.
Nonlinear Analysis of an Industrial Ammonia Reactor with Heterogeneous Model 225
Marchetti, M., Rao, A., Vickery, D.
Mixed Mode Simulation - Adding Equation Oriented Convergence to a Sequential
Modular Simulation Tool 231
ix
Martinez, E.C., Lopez, G.D.
Adaptive Optimal Operation of the Fenton's Batch Process for Industrial
Wastewater Treatment 23 7
Moharir, A.S., Shah, S.S., Gudi, R.D., Devereux, B.M., Vanden Bussche, K.,
Venimadhavan, G.
Generalized Reactor Model: An Object Oriented Approach to Reactor Modelling 243
Morton, W., Kozel, L., Lim, P.P.S., Douglas, D.
Step Restriction for a Bounded Newton's Method 249
Paloschi, J.R.
Improving Robustness using Homotopy as an Open Solver in a Dynamic Simulation
Package 255
Preisig, H.A.
Using Wavelets in Process Identification: A New Link to the State Space 261
Rouzineau, D., Meyer, M., Prevost, M.
Evaluation of Coupled Reactive Distillation Performances by Means of a Rigorous
Simulation Procedure 267
Sakizlis, V., Bansal, V., Ross, R., Perkins, J.D., Pistikopoulos, E.N.
An Adjoint-Based Algorithm for Mixed Integer Dynamic Optimization 273
Santana, P.L., Vasco de Toledo, E.C., Meleiro, L.A.C., Scheffer, R., Freitas Jr.,
B.B., Maciel, M.R.W., Maciel Filho. R.
A Hybrid Mathematical Model for a Three-phase Industrial Hydrogenation Reactor 279
Schneider, R., Kenig, E.Y., G6rak, A.
Complex Reactive Absorption Processes: Model Optimisation and Dynamic Column
Simulation 285
Shacham, M., Brauner, N., Cutlip, M.B.
A Web-based Library for Testing Performance of Numerical Solvers for Solving
Nonlinear Algebraic Equations 291
Siepmann, V., Haug-Warberg, T., Mathisen, K.W.
Analysis and Consistency of Process Models with Application to Ammonia
Production 297
Teoh, H.K., Sorensen, E., Tumer, M., Titchener-Hooker, N.
Dynamic Modelling of Chromatographic Processes: A Systematic Procedure for
Isotherms Determination 303
Tolsma, J.E., Barton, P.I.
Process Simulation and Analysis with Heterogenenous Models 309
Vale Lima, P., Saraiva, P.M.
A Structured and Selective Framework for Hybrid Mechanistic-Empirical Model
Building 315
Wolf-Maciel, M.R., Soares, C., Barros, A.A.C.
Validations of the Nonequilibrium Stage Model and of a New Efficiency Correlation
for Nonideal Distillation Process through Simulated and Experimental Data 321
Yiagopoulos, A., Yiannoulakis, H., Morris, J., Kiparissides, C.
Simulation of an Industrial Olefin Polymerization FBR Operating under Condensed
Mode 327
Zhuang, H., Chiu, M.-S.
Extended Self-Organizing Map with Application to the Modelling of Pulse Jet
Fabric Filters 333