European Symposium on Computer-Aided Process Engineering-14, 37th European Symposium of the Working Party on Computer-Aided Process Engineering

1201 Pages·2004·141.94 MB·English

by  A. Barbosa-Póvoa and H. Matos (Eds.)

EUROPEAN SYMPOSIUM ON
COMPUTER-AIDED PROCESS
ENGINEERING-14
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. Pallai and Z. Fonyó, 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. 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. Jørgensen, Editors)
Volume 10: European Symposium on Computer Aided Process Engineering-12
(J. Grievink and J.van Schijndel, Editors)
Volume 11: Software Architectures and Tools for Computer Aided Process Engineering
(B. Braunschweig and R. Gani, Editors)
Volume 12: Computer Aided Molecular Design: Theory and Practice (L.E.K. Achenie,
R. Gani and V. Venkatasubramanian, Editors)
Volume 13: Integrated Design and Simulation of Chemical Processes (A.C. Dimian)
Volume 14: European Symposium on Computer Aided Process Engineering-13
(A. Kraslawski and I. Turunen, Editors)
Volume 15: Process Systems Engineering 2003 (Bingzhen Chen and A.W. Westerberg,
Editors)
Volume 16: Dynamic Model Development: Methods, Theory and Applications (S.P. Asprey
and S. Macchietto, Editors)
Volume 17: The Integration of Process Design and Control (P. Seferlis and M.C. Georgiadis)
Volume 18: European Symposium on Computer-Aided Process Engineering-14
(A. Barbosa-Póvoa and H. Matos, Editors)
COMPUTER-AIDED CHEMICAL ENGINEERING, 18
EUROPEAN SYMPOSIUM ON
COMPUTER-AIDED
PROCESS ENGINEERING-14
37th European Symposium of the Working Party on
Computer-Aided Process Engineering
ESCAPE-14, 16-19 May 2004, Lisbon, Portugal
Edited by
A. Barbosa-Póvoa
IST-DEQ
Lisboa, Portugal
H. Matos
IST-DEQ
Lisboa, Portugal
ELSEVIER
2004
Amsterdam - Boston - Heidelberg - London - New York - Oxford
Paris - San Diego - San Francisco - Singapore - Sydney - Tokyo
ELSEVIER B.V. ELSEVIER Inc. ELSEVIER Ltd ELSEVIER Ltd
Sara Burgerhartstraat 25 525 B Street, Suite 1900 The Boulevard, Langford Lane 84 Theobalds Road
P.O. Box 211, 1000 AE Amsterdam San Diego, CA 92101-4495 Kidlington, Oxford OX5 1GB London WC1X 8RR
The Netherlands USA UK UK
© 2004 Elsevier B.V. All rights reserved.
This work is protected under copyright by Elsevier B.V., and the following terms and conditions apply to its use:
Photocopying
Single photocopies of single chapters may be made for personal use as allowed by national copyright laws. Permission of the
Publisher and payment of a fee is required for all other photocopying, including multiple or systematic copying, copying for
advertising or promotional purposes, resale, and all forms of document delivery. Special rates are available for educational
institutions that wish to make photocopies for non-profit educational classroom use.
Permissions may be sought directly from Elsevier's Rights Department in Oxford, UK: phone [phone], fax (+44)
1865 853333, e-mail: [email protected]. Requests may also be completed on-line via the Elsevier homepage
(http://www.elsevier.com/locate/permissions).
In the USA, users may clear permissions and make payments through the Copyright Clearance Center, Inc., 222 Rosewood
Drive, Danvers, MA 01923, USA; phone: (+1) (978) 7508400, fax: (+1) (978) 7504744, and in the UK through the Copyright
Licensing Agency Rapid Clearance Service (CLARCS), 90 Tottenham Court Road, London W1P 0LP, UK; phone: (+44) 20
7631 5555; fax: [phone]. Other countries may have a local reprographic rights agency for payments.
Derivative Works
Tables of contents may be reproduced for internal circulation, but permission of the Publisher is required for external resale or
distribution of such material. Permission of the Publisher is required for all other derivative works, including compilations and
translations.
Electronic Storage or Usage
Permission of the Publisher is required to store or use electronically any material contained in this work, including any chapter
or part of a chapter.
Except as outlined above, no part of this work may be reproduced, stored in a retrieval system or transmitted in any form or by
any means, electronic, mechanical, photocopying, recording or otherwise, without prior written permission of the Publisher.
Address permissions requests to: Elsevier's Rights Department, at the fax and e-mail addresses noted above.
Notice
No responsibility is assumed by the Publisher for any injury and/or damage to persons or property as a matter of products
liability, negligence or otherwise, or from any use or operation of any methods, products, instructions or ideas contained in the
material herein. Because of rapid advances in the medical sciences, in particular, independent verification of diagnoses and
drug dosages should be made.
First edition 2004
Library of Congress Cataloging in Publication Data
A catalog record is available from the Library of Congress.
British Library Cataloguing in Publication Data
A catalogue record is available from the British Library.
ISBN: 0-444-51694-8
ISSN: 1570-7946
The paper used in this publication meets the requirements of ANSI/NISO Z39.48-1992 (Permanence of Paper).
Printed in The Netherlands.
V
Preface
This book contains part of the papers presented at the 14th European Symposium on
Computer Aided Process Engineering (ESCAPE-14), held in Lisbon, Portugal, from
May 16- 19, 2004. It is coupled with a CD-ROM where all the papers presented at the
symposium are included.
The ESCAPE series constitutes a major European yearly event in the area of computer
aided process engineering (CAPE), where methods, algorithms, techniques and tools are
developed and used to help the decision making process in the optimization of the
design and/or of operation of industrial processes with, on average, over 200 partici-
pants per edition, from more than 50 countries. This series serves as a forum for
bringing together European and International scientists, researchers, managers and
engineers, from academia and industry, as well as students, to present and discuss
progress being made in the area of CAPE.
Previous editions took place in Denmark (1992, 2001), France (1992), Austria (1993),
Ireland (1994), Slovenia (1995), Greece (1996), Norway (1997), Belgium (1998),
Hungary (1999), Italy (2000), The Netherlands (2002) and Finland (2003).
The steering of ESCAPE falls within the responsibility of the European Federation of
Chemical Engineering through its working party on Computer Aided Process
Engineering.
ESCAPE-14 focus on five main leading themes: Product and Process Design, Synthesis
and Process Integration, Process Control and Analysis, Manufacturing and Process
Operations and New Challenges in CAPE which define the papers arrangements along
this book.
A total of 182 papers, consisting of 9 keynote and 173 contributions are included in the
book and more 56 are jointly included in the attached CD-ROM. All papers have been
reviewed and we are grateful to the members of the international scientific committee
for their evaluations, comments and recommendations. It was an intensive task since we
started with 485 submitted abstracts. The selection process involved review of abstracts,
review of manuscripts and final acceptance of the revised manuscripts.
In this 14th edition of ESCAPE, there was the launching of the CAPE "Long term
achievements" Award which was given to Prof. R.W.H Sargent whom have excelled in
his work and whom will be justly revered by the future generations of scientists as a
role model of achievement in the field of process systems engineering.
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.
Ana Barbosa-Povoa
Henrique Matos
vi
International Scientific Committee
Ana Barbosa-Povoa (Portugal, Chairperson)
Henrique Matos (Portugal, Co-chairperson)
C. Adjiman (United Kingdom) M. Luyben (United States of America)
R. Banares-Alcantara (Spain) S. Macchietto (United Kingdom)
D. Bogle (United Kingdom) T. Marlin (Canada)
B. Braunschweig (France) W. Marquardt (Germany)
C. Costa (Portugal) M. Noelle Pons (France)
S. Engell (Germany) C. Pantelides (United Kingdom)
A. Espuna (Spain) L. Papageorgiou (United Kingdom)
S. Feyo de Azevedo (Portugal) S. Pierucci (Italy)
C. Floudas (United States of America) J. Pinto (Brazil)
C.-J. Fogelholm (Finland) E. Pistikopoulos (United Kingdom)
Z. Fonyo (Hungary) L. Puigjaner (Spain)
R. Gani (Denmark) G. Reklaitis (United States of America)
J. Grievink (The Netherlands) A. Sanchez (Mexico)
I. Grossmann (United States of America) J.V. Schijndel (The Netherlands)
G. Heyen (Belgium) N. Shah (United Kingdom)
S. Jorgensen (Denmark) S. Skogestad (Norway)
X. Joulia (France) E. S0rensen (United Kingdom)
A. Kraslawski (Finland) J.W. Verwijs (The Netherlands)
Z. Kravanja (Slovenia)
Local Organising Committee
Henrique Matos (Chairperson, Institute Superior Tecnico)
Ana Barbosa-Povoa (Co-chairperson, Institute Superior Tecnico)
J.Ataide (Portucel) A. Novais (INETI)
P.Castro (INETI) N. Oliveira (Univ. Coimbra)
E.C. Ferreira (Univ. Minho) C. Pedro Nunes (Quimigal, S.A.)
S. Feyo Azevedo (Univ. Porto) C. Pinheiro (1ST)
P. Goncalves (Cires) F. Ramoa Ribeiro (Ordem Engenheiros)
J. Menezes (1ST) P. Saraiva (Univ. Coimbra)
P. Mota (Univ. Nova Lisboa)
Conference Secretariat
Susana Relvas
LabSOP, 1ST- DEQ (5°. Piso -Torre Sul)
Av. Rovisco Pais, 1049 - 001 Lisboa, Portugal
Tel: + 351-218419166, Fax: + 351-218417638
Email: [email protected], URL: http://www.escapel4.online.pt
Vll
Contents
Long Term Achievement Keynote
Process Systems Engineering - A Retrospective View, with Questions for the
Future
Sargent, R. 1
Keynote Papers
Optimization and Control of Chromatography
Engell, S., Toumi, A. 9
Global Optimization in the 21st Century: Advances and Challenges
Floudas, C.A., Akrotiriankis, I.G., Caratzoulas, S., Meyer, C.A., Kallrath, J. 23
Optimal Synthesis of Complex Distillation ColumnsUsing Rigorous Models
Grossmann, I.E., Aguirre, P.A., Barttfeld, M. 53
Crystallization And Precipitation Engineering
Jones, A., Rigopoulos, S., Zauner, R. 75
Data-based Latent Variable Methods for Process Analysis, Monitoring and Control
MacGregor, J.F. 87
Constructive Nonlinear Dynamics in Process Systems Engineering
Marquardt, W., Monnigmann, M. 99
Machine means for design, control and economic optimisation of polyolefine
production processes and their products
Moen,0. 117
Process Industry Supply Chains: Advances and Challenges
Shah,N. 123
Contributed Papers
Product and Process Design
Entropy Generation in a Partly Porous Heat Exchanger
Allouache, N., Chikh, S. 139
Computational Fluid Dynamic Simulation of the Dispersed Phase Size Distribution
in a Multifunctional Channel Reactor
Andersson, R., Andersson, B., Bouaifi, M., Chopard, F., Nor en, T. 145
Value of Information Analysis in Product/Process Design
Bernardo, F.P., Saraiva, P.M. 151
Modeling of Visbreaking Process: The Effect of Naphthenic Content on Yields and
VB Residue Stability
Bozzano, G., Carlucci, F., Dente, M. 157
CFD Simulations of RTD of a Strawberry Pulp in a Continuous Ohmic Heater
Castro, I., Reis, N., Teixeira, J.A., Vicente, A.A. 163
Vlll
Simulation of Two-Phase, Gas-Solid Turbulent Jets
Fairweather, M., Hurn, J.-P. 169
The Design of Solvents for Optimal Reaction Rates
Folic, M., Adjlman, C.S., Pistikopoulos, E.N. 175
A Thermo-Hydraulic Approach to Conceptual Design of an Internally Heat-
integrated Distillation Column (i HIDiC)
Gadalla, M., Olujic, Z., Rijke, A., Jansens, P.J. 181
Optimization of Ladder-type Spacers for Nanofiltration and Reverse Osmosis
Spiral-wound Modules by Computational Fluid Dynamics
Geraldes, V., Semiao, V., Pinho, N. 187
Computational Modelling of Complex Bubble Interactions
Haario, H., Laari, A., Luukka, P., Smolianski, A., Turunen, I. 193
Fluid Dynamics in Multiphase Distillation Processes in Packed Towers
Hoffmann, A., Ausner, I., Repke, J.-U., Wozny, G. 199
Dynamic Computational Modeling of the Glass Container Forming Process
Hyre, M.R., Taylor, R.P., Harris, M.S. 205
Two Examples of Steady State Simulation with HYSYS at GALPenergia Sines
Refinery
Inverno, J.E.F., Correia, E., Jimenez-Asenjo, P., Feliu, J.A. 211
Optimal (Solvent) Mixture Design Through a Decomposition Based CAMD
Methodology
Karunanithi, A.P.T., Achenie, L.E.K., Gani, R. 217
State Multiplicity in Multi-Reaction/Reactor-Separator-Recycle Systems
Kiss, A.A., Bildea, C.S., Dimian, A.C., ledema, P.D. 223
Integrated Process Synthesis of Large-Scale Chemical Processes
Krajnc, D., Pintaric, Z.N., Glavic, P. 229
Managing Financial Risk in the Planning of Heat Exchanger Cleaning
Lavaja, J.H., Bagajewicz, M.J. 235
CFD Modelling of Local Bubble Size Distributions in Agitated Gas-Liquid Vessels
- Verification against Experiments
Moilanen, P., Laakkonen, M., Aittamaa, J. 241
On-line Estimation of Reactor Key Performance Indicators: An Industrial Case
Study
Musch, H., List, T., Dempf D., Heyen, G. 247
Integration of Particle to Bubble Adhesion Model in Design and Scale-Up of Slurry
Bubble Columns
Omota, F., Bliek, A. 253
On the Integrated Design of Solvents and Processes using a Decomposition-Based
Approach
Papadopoulos, A.I., Linke, P. 259
Development of Nonlinear Quantitative Structure-Activity Relationships using RBF
Networks and Evolutionary Computing
Patrinos, P., Alexandridis, A., Afantitis, A., Sarimveis, H., Igglesi-
Markopoulou, O. 265
IX
Optimization of Mixing Protocol in a 3-D Time-Periodic Stokes Flow
Rodrigo, A.J.S., Rodrigues, R.C.R., Formiga, N.F.C., Mota, J.P.B., Lefevre,
A., Saatdjian, E. 271
Scale-Up of Catalytic Three-Phase Reactors from First Principles
Ronnholm, M.R., Warna, J., Salmi, T. 277
Multi-Objective Optimization for the Design of Bio-Processes
Sendin, O.H., Otero, I., Alonso, A.A., Banga, J.R. 283
Optimal Peptide Tag Design and Synthesis of Downstream Protein Processing
Simeonidis, E., Pinto, J.M., Papageorgiou, L.G. 289
A New Way of Separating Azeotrope Mixtures in Batch Rectifier
Steger, C, Lelkes, Z., Rev, E., Meyer, M., Fortyo, Z. 295
Computer-Aided and Predictive Models for Design of Controlled Release of
Pesticides
Suhe, N.M., Gani, R. 301
An Integrated System to Support Design of Safer Batch Processes
Zhao, C, Shimada, Y., Venkatasubramanian, V. 307
Generalised Interval Methods in Optimal Design
Zilinskas, J., Bogle, I.D.L. 313
Synthesis and Process Integration
Design of Extraction Column Methanol Recovery System for the TAME Reactive
Distillation Process
Al-Arfaj, M.A. 319
Simulation of the Transient Behaviour of a Digester Used in the Pulp and Paper
Industry
Araitjo, A., Ferreira, J.A., Fernandes, N., Oliveira, P. 325
Knowledge-driven Reactor Network Synthesis and Optimisation
Ashley, V., Linke, P. 331
Decision Supporting System for Design of Wastewater Treatment
Avramenko, Y., Kraslawski, A., Menshutina, N. 337
Modification of the Conventional Attainable Region and the Formation of a Novel
Concept for an Economic Attainable Region
Bedenik, N.I., Kravanja, Z. 343
Design and Optimization of Recycle Policies for Multicomponent Azeotropic
Distillation Processes with Bifurcation Analysis
Briiggemann, S., Marquardt, W. 349
Business and Technical Support for the Design of Agile Production Plants
Burgess, T.F., Shaw, N.E., Borissova, A., Fairweather, M., Goltz, G.E. 355
Simultaneous Design of Heat Integrated and Thermally Coupled Distillation
Systems
Caballero, J.A., Reyes-Labarta, J.A., Grossmann, I.E. 361
Identifying the Optimal Process Design for a Chemical Process to be Implemented
in an Existing Multipurpose Batch Plant
Cavin, L., Mosat', A., Fischer, U., Hungerbtihler, K. 367