17 European Symposium on Computer Aided Process Engineering

1393 Pages·2007·59.926 MB·English

by  Valentin Pleşu and Paul Şerban Agachi (Eds.)

Prelims-N53157.fm Page i Monday, April 2, 2007 9:34 AM
th
17 EUROPEAN SYMPOSIUM
ON COMPUTER AIDED PROCESS
ENGINEERING
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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, Editors)
Volume 18: European Symposium on Computer-Aided Process Engineering-14
(A. Barbosa-Póvoa and H. Matos, Editors)
Volume 19: Computer Aided Property Estimation for Process and Product Design
(M. Kontogeorgis and R. Gani, Editors)
Volume 20: European Symposium on Computer-Aided Process Engineering-15
(L. Puigjaner and A. Espuña, Editors)
Volume 21: 16th European Symposium on Computer Aided Process Engineering
and 9th International Symposium on Process Systems Engineering
(W. Marquardt and C. Pantelides)
Volume 22: Multiscale Modelling of Polymer Properties
(M. Laso and E.A. Perpète)
Volume 23: Chemical Product Design: Towards a Perspective through Case Studies
(K.M. Ng, R. Gani and K. Dam-Johansen, Editors)
Volume 24: 17th European Symposium on Computer Aided Process Engineering
(V. Plesu and P.S. Agachi, Editors)
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COMPUTER-AIDED CHEMICAL ENGINEERING, 24
th
17 EUROPEAN
SYMPOSIUM ON
COMPUTER AIDED
PROCESS ENGINEERING
Edited by
V. Plesu
University POLITEHNICA of Bucharest,
Bucharest, Romania
P.S. Agachi
Babes-Bolyai University,
Cluj-Napoca, Romania
Amsterdam – Boston – Heidelberg – London – New York – Oxford
Paris – San Diego – San Francisco – Singapore – Sydney – Tokyo
Prelims-N53157.fm Page iv Monday, April 2, 2007 9:34 AM
Elsevier
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First edition 2007
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Preface
This book contains papers presented at the 17th European Symposium of
Computer Aided Process Engineering (ESCAPE 17) held in Bucharest,
Romania, from 27th to 30th May 2007. The meeting was jointly organised by
University "Politehnica" of Bucharest and University "Babes-Bolyai" of Cluj-
Napoca, as event no. 659 of the European Federation of Chemical Engineering.
The most recent ESCAPE symposia took place in Lisbon, Portugal (2004),
Barcelona, Spain (2005) and Garmisch - Partenkirchen, Germany (2006).
The ESCAPE series serve as a forum for scientists and engineers from academia
and industry to discuss progress achieved in the area of Computer Aided
Process Engineering (CAPE). The main goal of ESCAPE 17 was to emphasize
the continuity in research of innovative concepts and systematic design methods
as well the diversity of applications emerged from the demands of sustainable
development. ESCAPE 17 highlighted also the progresss software technology
needed for implementing simulation based tools.
The symposium was organized on 5 Themes and 27 topics, following the main
trends in CAPE area: Modelling, Process and Products Design, Optimisation
and Optimal Control and Operation, System Biology and Biological Processes,
Process Integration and Sustainable Development. Since over the years
Romania brought a significant contribution to the development of the petroleum
industry, the organisers gave special attention to CAPE topics related to oil&gas
industries.
The International Scientific Committee had a hard task to select about 300
contributions from about 550 submitted abstracts. Two or three reviewers
evaluated each abstract and manuscript. Recommended papers are printed in
this book. All the contributions are included on the CD-ROM attached to the
book. The organisers are grateful to the members of the International Scientific
Committee and to Special Reviewers for their effort.
Participants from 50 countries attended ESCAPE 17. Invited speakers presented
5 plenary lectures tackling broad subjects and 10 keynote lectures of interest for
selected themes topics. Satellite events added a plus to the scientific dimension
to this symposium. The high-quality scientific contributions included in this
volume serve as extensive documentation basis for those interested. We hope it
brings a real added value to the literature of the CAPE field.
Professor Valentin Ple§u
Professor Paul §erban Agachi
ESCAPE 17 Co-Chairmen
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International Scientific Committee
Aittamaa, Juhani Finland Kokossis, Antonis UK
Allgower, Frank Germany Kondili, Emilia Greece
Bagajewicz, Miguel USA Kraslawski, Andrzej Finland
Balliu, Nicoleta Australia Kravanja, Zdravko Sbvenia
3arbosa-P6voa, Ana Paula Portugal Lababidi, Haithan Kuweit
Barton, Paul USA Lavric, Daniela Elena France
3iegler, Lorenz T. USA Lavric, Vasile Romania
Bildea, Sorin Costin The Netherlands LeLann, Jean-Marc France
Bogle, I.D.L. UK Lewin, Daniel Israel
3ozga, Grigore Romania Majozi, Tokhozani South Africa
Braatz, Richard USA Maria, Gheorghe Romania
3raunschweig, Bertrand France Marquardt, Wolfgang Germany
3uzzi-Ferraris, Guido Italy Matos, Henrique Anibal Portugal
Daoutidis, Prodromos USA Mizsey, Peter Hungary
Dimian, Alexandre The Nethertands Mordechai, Shacham Israel
Doherty, Michael USA Mujtaba, Iqbal UK
El-Halwagi, Mahmoud USA Nagy, Zoltan Kalman. UK
Engell, Sebastian Germany Narodoslawsky, Michael Austria
Espuna, Antonio Spain Paraschiv, Nicolae Romania
Fbudas, Christodoubs USA Pierucci, Sauro Italy
Friedler, Ferencs Hungary Pistikopoubs, Efstratios N. UK
Gani, Rafiqul Denmark Pohorecki, Ryszard Poland
Glavic, Peter Slovenia Pons, Michel France
Gorak, Andrzej Germany Preisig, Heinz Norway "^
Grievink, Johan The Netherlands Puigjaner, Luis Spain
Grossmann, Ignacio USA Reklaitis, Gintaras V. Rex USA
Gundersen, Tails Norway Savkovic-Stevanovic, Jelenka Serbia
Hauan, Steiner USA Schmidt-Traub, Henner Germany
Heinzle, Elmar Germany Secchi, Argimiro Resende Brasil
Heyen, Georges Belgium Silaghi-Dumitrescu, loan Romania
Hildebrandt, Diane South Africa Skogestad, Sigurd Norway
lerapetritou, Marianthi USA Smith, Robin UK
Jallut, Christian France Stuart, Paul Canada
Jorgensen, Sten Bay Denmark Szedlacsek, Stefan Romania
Joulia, Xavier France Todinca, Toedor Romania
Juncu, Gheorghe Romania Tiirkay, Metin Turkey
Ka Ming, Ng Hong Kong Turunen, Ilkka Finland
Karimi, Iftekhar Singapore Venkatasubramanian, Venkat USA
Kenig, Eugeny Germany Woehl, Pierre France
Kiss, Anton Alexandru The Netherlands Wozny, Gunter Germany
Klemes, Jifi UK Zhelev, Toshko Ireland
Conference Secretariat
Lecturer Petrica IANCU
University POLITEHNICA of Bucharest, Centre for Technology Transfer in the Process Industries,
1, Polizu Street, Building A, Room A056, RO-011061, Bucharest, Romania
Phone [phone], Fax [phone],
E-mail: [email protected], http://www.escape17.upb.ro
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Theme Co-chairmen
Theme 1 Modelling in CAPE - New Horizons
Doherty, Michael USA
Kokossis, Antonis UK
Theme 2 Products and Processes Design Fundamentals
Friedler, Ferencs Hungary
Kraslawski, Andrzej Finland
Theme 3 Optimisation and Optimal Process Control and Operation
Bildea, Sorin Costin The Netherlands
Skogestad, Sigurd Norway
Theme 4 Systems Biology and Biological Processes
Maria, Gheorghe Romania
Turkay, Metin Turkey
Theme 5 Process Integration and Sustainable Development
Klemes, Jiri UK
Kravanja, Zdravko Slovenia
Special Reviewers
Arellano-Garcia, Harvey Germany
Aziz, Norashid Malaysia
Banares-Alerano, Rene UK
Bulatov, Igor UK
Bumbac, Gheorghe Romania
Cheng-Liang, Chen Taiwan
Cisternas, Luis Chili
Foo, Dominic Chwan Yee Malaysia
Gan, Suyin Malaysia
Guillen, Gonzalo USA
Huesman, Adrie The Netherlands
Jimenez Esteller, Laureano Spain
Kiranoudis, Christos Greece
Linke, Patrick UK
Ng, Hoon Kiat Malaysia
Ofiteru, Dana Irina Romania
Perris, Tony UK
Radulescu, Gabriel Romania
Sarimveis, Haralambos Greece
Tan, Raymond Phillipines
Varbanov, Petar Bulgaria
Wichanop, Amornchai Thailand
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Organising Committee
UNIVERSITY "POLITEHNICA" OF BUCHAREST - Rector Ecaterina Andronescu
UNIVERSITY "BABES-BOLYAI" OF CLUJ-NAPOCA - Rector Nicolae Bocsan
President
Pohorecki, Ryszard - Poland, representative of EFCE
Co-Chairmen
Agachi, Paul Serban Romania Plesu, Valentin Romania
Secretariat
lancu, Petrica - Romania
Members
Adamescu, Dorina Romania Josceanu, Ana Maria Romania
Alesincu, Horia Sorin Romania Juncu, Gheorghe Romania
Andronic, Viorel Romania Kiss, Anton Alexandru The Netherlands
Ani, Cristea Romania Lavric, Vasile Romania
Bercaru, Georgeta Romania Lucaci-lmre, Arpad Romania
Bercaru, Marius-Titus Romania Maria, Gheorghe Romania
Bildea, Costin Sorin The Netherlands Muntean, Ovidiu Romania
Bologa, Vasile Romania Nagy, losif Romania
Botar-Jid, Claudiu Cristian Romania Nedelcu, Voichita Romania
Buzea, Liana Romania Ofiteru, Dana Irina Romania
Ciornei, lonel Cristian Romania Onofrei, Razvan Sorin Romania
Cormos, Ana Maria Romania Papa, Mirela Romania
Costache, Mihai Romania Paraschiv, Nicolae Romania
Costea, llona Romania Plesu, Alexandra Elena Romania
Costoiu, Mihnea Romania Postelnicescu, Paula Romania
Cristea, Vasile-Mircea Romania Radu, Victor Comeliu Romania
Danciu, Tiberiu Dinu Romania Rosca, Sorin Romania
Dimian, Alexandre The Netherlands Stan, Raluca Gloria Liane Romania
Dumitrescu, Anca Romania Soriga, Stefan Gabriel Romania
Gijiu, Luminita Cristiana Romania Tacu-Marcov, Cristian Romania
lovu, Horia Romania Todinca, Teodor Romania
Isopescu, Raluca Daniela Romania Vasilescu, Paul Romania
Jinescu, Gheorghita Romania Zaharia, Elena Romania
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Contents
Plenary Lectures
Process Systems Engineering and CAPE - What Next?,
Rafiqul Gani, Ignacio E. Grossmann 1
Reactive and Hybrid Separations of Chemicals and Bioactive Substances:
Modeling and Optimization,
Andrzej Gorak 7
Crystal Engineering for Product and Process Design,
Michael F. Doherty 9
Among the Trends for a Modern Chemical Engineering: CAPE an Efficient
Tool for Process Intensification and Product Design and Engineering,
Jean-Claude Charpentier 11
Perspectives for Process Systems Engineering - a Personal View from
Academia and Industry,
Karsten-Ulrich Klatt, WolfgangMarquardt 19
Theme 1 Modelling in CAPE - New Horizons
Keynote Lectures
State-of-the Art in Short-Term, Medium-Term, and Reactive Scheduling
for Large-Scale Batch and Continuous Processes,
Christodoulos Floudas 33
Perspectives on Process Systems Engineering R&D in Support of
Pharmaceutical Product/ Process Development and Manufacturing,
Gintaras V. Rex Reklaitis 35
Papers
Neural Network Based Predictions for the Liquid Crystal Properties of
Organic Compounds,
Catalin Lisa, Silvia Curteanu 39
Modeling of a Three-phase Industrial Batch Reactor using a Hybrid First -
principles Neural-network Model,
Levente L. Simon, Ulrich Fischer, Konrad Hungerbuhler 45
Air Quality Prediction in Uberlandia, Brazil, Using Linear Models and
Neural Networks,
Taisa S. Lira, Marcos A. S. Barrozo, AdilsonJ. Assis 51