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

Johan Grievink and Jan van Schijndel (Eds.)978-0-444-51109-6

This book contains 182 papers presented at the 12th Symposium of Computer Aided Process Engineering (ESCAPE-12), held in The Hague, The Netherlands, May 26-29, 2002. The objective of ESCAPE-12 is to highlight advances made in the development and use of computing methodologies and information technology in the area of Computer Aided Process Engineering and Process Systems Engineering. The Symposium addressed six themes: (1) Integrated Product&Process Design; (2) Process Synthesis & Plant Design; (3) Process Dynamics & Control; (4) Manufacturing & Process Operations; (5) Computational Technologies; (6) Sustainable CAPE Education and Careers for Chemical Engineers. These themes cover the traditional core activities of CAPE, and also some wider conceptual perspectives, such as the increasing interplay between product and process design arising from the often complex internal structures of modern products; the integration of production chains creating the network structure of the process industry and optimization over life span dimensions, taking sustainability as the ultimate driver”

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Table of contents :
Content:
Preface
Page v
Johan Grievink, Jan van Schijndel

International scientific committee
Page vi

Sustainable CAPE-education and careers for chemical engineers Original Research Article
Pages 1-8
Bart Drinkenburg

Process synthesis and design in industrial practice Original Research Article
Pages 9-22
Gerd Kaibel, Hartmut Schoenmakers

Process software in the chemical industry—the challenge of complexity Original Research Article
Pages 23-30
J. Kussi, R. Perne, A. Schuppert

Designing industrial processes for on-aim product quality control Original Research Article
Pages 31-41
Michael L. Luyben

Adaptivity in process systems modeling Original Research Article
Pages 42-56
Wolfgang Marquardt

Plantwide control: Towards a systematic procedure Original Research Article
Pages 57-69
Sigurd Skogestad

Decision confidence—Handling uncertainty through the plant life cycle using statistics and datamining Original Research Article
Pages 70-77
David Stockill

Property integration—A new approach for simultaneous solution of process and molecular design problems Original Research Article
Pages 79-84
Mario Richard Eden, Sten Bay Jørgensen, Rafiqul Gani, Mahmoud El-Halwagi

Mass balance and capacity optimisation in the conceptual design of processes for structured products Original Research Article
Pages 85-90
Nilesh Y. Jadhav, Michel L.M. vander Stappen, Remko Boom, Giljam Bierman, Johan Grievink

Enzyme conformational predictions by molecular modeling Original Research Article
Pages 91-96
S.S. Jesus, T.T. Franco, R. Maciel Filho, F.N. Shimono, R.R. Sousa, A. Cappi, G.C. Stein

ASTRO-FOLD: Ab-initio secondary and tertiary structure prediction in protein folding Original Research Article
Pages 97-102
John L. Klepeis, Christodoulos A. Floudas

Incorporation of sustainability demands into the conceptual process design phase of chemical plants Original Research Article
Pages 103-108
Gijsbert Korevaar, G. Jan Harmsen, Saul. M. Lemkowitz

Multi-scale modeling strategy for separation of alkane mixtures using zeolites Original Research Article
Pages 109-114
R. Krishna

Simultaneous synthesis and design of novel chemicals and chemical process flowsheets Original Research Article
Pages 115-120
Patrick Linke, Antonis Kokossis

Intensification of a solvent recovery technology through the use of hybrid equipment Original Research Article
Pages 121-126
Peter Mizsey, Agnes Szanyi, Andreas Raab, Jozsef Manczinger, Zsolt Fonyo

A global optimization technique for solid-liquid equilibrium calculations: Application to calcium phosphate precipitation Original Research Article
Pages 127-132
L. Montastruc, C. Azzaro-Pantel, B. Biscans, A. Davin, L. Pibouleau, S. Domenech

Multivariate analysis for product design and control Original Research Article
Pages 133-138
Ingela Niklasson Björn, Staffan Folestad, Mona Johansson, Lars Josefsson

A modelling formalism for multiproduct and multiplant batch processes Original Research Article
Pages 139-144
Sebastián Oddone, Oscar A. Iribarren

Design of a membrane process in a countercurrent operation for the treatment of industrial effluents Original Research Article
Pages 145-150
Sergio M. Corvalán, Inmaculada Oritiz, Ana M. Eliceche

Feasibility of equilibrium-controlled reactive distillation processes: application of residue curve mapping Original Research Article
Pages 151-156
C.P. Almeida-Rivera, J. Grievink

Selection of internals for reactive distillation column—Case-based reasoning approach Original Research Article
Pages 157-162
Yuri Avramenko, Lars Nyström, Andrzej Kraslawski

An industrial case study in simultaneous design and control using mixed-integer dynamic optimization Original Research Article
Pages 163-168
V. Bansal, R. Ross, J.D. Perkins, E.N. Pistikopoulos, S. de Wolf

Logic-based methods for generating and optimizing thermally coupled distillation systems Original Research Article
Pages 169-174
José A. Caballero, Ignacio E. Grossmann

Entrainer-assisted reactive distillation: Application to process synthesis for fatty esters Original Research Article
Pages 175-180
Alexandre C. Dimian, Florin Omota, Alfred Bliek

Catalytic distillation modeling Original Research Article
Pages 181-186
Florence Druart, David Rouzineau, Jean-Michel Reneaume, Michel Meyer

Integration of reaction and separation in a batch extractive distillation column with a middle vessel Original Research Article
Pages 187-192
José Espinosa

MINLP heat exchanger network design incorporating pressure drop effects Original Research Article
Pages 193-198
S. Frausto-Hernández, V. Rico-Ramírez, S. Hernández-Castro, A. Jiménez

Hierarchical approach for selecting uncertain parameters at the conceptual stage of design Original Research Article
Pages 199-204
H.D. Goel, P.M. Herder, M.P.C. Weijnen, J. Grievink

Optimal design of a continuous crystallizer with guaranteed parametric robust stability Original Research Article
Pages 205-210
R. Grosch, M. Mönningmann, H. Briesen, W. Marquardt

Modeling coupled distillation column sections using profile maps Original Research Article
Pages 211-216
S.T. Holland, M Tapp, D Hildebrandt, D Glasser

Automating reactor network synthesis: Finding a candidate attainable region for water-gas shift(WGS) reaction Original Research Article
Pages 217-222
S. Kauchali, B. Hausberger, E. Mitova, D. Hildebrandt, D. Glasser

Integrated design of cooling water systems Original Research Article
Pages 223-228
Jin-Kuk Kim, Robin Smith

Non-linear behaviour of PFR-separator-recycle polymerization systems Original Research Article
Pages 229-234
Anton A. Kiss, Costin S. Bildea, Alexandre C. Dimian, Piet D. Iedema

Application of transport equations for heat and mass transfer to distillation of ethanol and water Original Research Article
Pages 235-240
Gelein M. de Koeijer, Signe Kjelstrup

Synthesis of reactor/separator networks by the conflict-based analysis approach Original Research Article
Pages 241-246
Xiao-Ning Li, Ben-Guang Rong, Andrzej Kraslawski

Systematic decision-making technology for optimal multiphase reaction and reaction/reactive separation system design Original Research Article
Pages 247-252
Patrick Linke, Antonis Kokossis

Alternative processes for production of anhydrous ethanol through salt extractive distillation with reconstitution of the separation agent Original Research Article
Pages 253-258
Eliana L. Ligero, Teresa M.K. Ravagnani

Optimum controllability of distributed systems based on non-equilibrium thermodynamics Original Research Article
Pages 259-264
F. Michiel Meeuse, Johan Grievink

Internet-based equipment and model gallery Original Research Article
Pages 265-270
Marja Nappa, Tommi Karhela, Markku Hurme

Interval analysis for identification and bounding of potential process structures in early design Original Research Article
Pages 271-276
A.R.F. O’Grady, I.D.L. Bogle, E.S. Fraga

Hydrodesulphurization of gasoils: Advantages of counter-Current gas-Liquid contacting Original Research Article
Pages 277-282
J.A. Ojeda, J. Ramirez, R. Krishna

Mixed-logic dynamic optimization applied to configuration and sequencing of batch distillation processes Original Research Article
Pages 283-288
J. Oldenburg, W. Marquardt, D. Heinz, D. Leineweber

A general framework for the synthesis and operational design of batch processes Original Research Article
Pages 289-294
Irene Papaeconomou, Rafiqul Gani, Sten Bay Jørgensen

Safe process plant layout using mathematical programming Original Research Article
Pages 295-300
Dimitrios I. Patsiatzis, Lazaros G. Papageorgiou

Design of a reactive distillation process for ultra-low sulfur diesel production Original Research Article
Pages 301-306
Eduardo S. Perez-Cisneros, Salvador A. Granados-Aguilar, Pedro Huitzil-Melendez, Tomas Viveros-Garcia

A generalised program for fuel cell systems simulation Original Research Article
Pages 307-312
S. Pierucci, D. Manca, S. Galli, M. Mangione

Reactive extraction process for concentrating citric acid using an electrolyte mixed solvent Original Research Article
Pages 313-318
Pinto R.T.P., Lintomen L., Broglio M.I., Luz L.F.L. Jr., Meirelles A.J.A., Maciel Filho R., Wolf-Maciel M.R.

Synthesis of thermodynamically efficient distillation schemes for multicomponent separations Original Research Article
Pages 319-324
Ben-Guang Rong, Andrzej Kraslawski

Modelling of multicomponent reactive absorption using continuum mechanics Original Research Article
Pages 325-330
D. Roquet, P. Cézac, M. Roques

Optimization-based methodologies for integrating design and control in cryogenic plants Original Research Article
Pages 331-336
M. Schenk, V. Sakizlis, J.D. Perkins, E.N. Pistikopoulos

Modeling safety in a distributed technology management environment for more cost-effective conceptual design of chemical process plants Original Research Article
Pages 337-342
Bastiaan A. Schupp, Saul M. Lemkowitz, L.H.J. Goossens, A.R. Hale, H.J. Pasman

Synthesis of azeotropic separation systems by case-based reasoning Original Research Article
Pages 343-348
Timo Seuranen, Elina Pajula, Markku Hurme

MINLP retrofit of heat exchanger networks comprising different exchanger types Original Research Article
Pages 349-354
Aleksander Soršak, Zdravko Kravanja

Boundary crossing during azeotropic distillation of water-ethanol-methanol at total reflux: Influence of interphase mass transfer Original Research Article
Pages 355-360
P.A.M. Springer, R. Krishna

Comparison of different mathematical programming techniques for mass exchange network synthesis Original Research Article
Pages 361-366
Z. Szitkai, A.K. Msiza, D.M. Fraser, E. Rev, Z. Lelkes, Z. Fonyo

Optimal design of gas permeation membrane & membrane adsorption hybrid systems Original Research Article
Pages 367-372
Ramagopal Uppaluri, Robin Smith, Patrick Linke, Antonis Kokossis

Mixed integer optimization models for the synthesis of protein purification processes with product loss Original Research Article
Pages 373-378
Elsa Vasquez-Alvarez, Jose M. Pinto

Fresh water by reverse osmosis based desalination process: Optimisation of design and operating parameters Original Research Article
Pages 379-384
A. Villafafila, I.M. Mujtaba

Batch distillation of zeotropic mixtures in a column with a middle vessel Original Research Article
Pages 385-390
M. Warter, D. Demicoli, J. Stichlmair

Wastewater treatment management using combined water-oxygen-thermal pinch analysis Original Research Article
Pages 391-396
T.K. Zhelev

Integrated process simulation and CFD for improved process engineering Original Research Article
Pages 397-402
Stephen E. Zitney, Madhava Syamlal

Frequency locking in a discontinuous periodically forced reactor Original Research Article
Pages 403-408
E. Mancusi, L. Russo, G. Continillo, S. Crescitelli

Hybrid modelling: architecture for the solution of complex process systems Original Research Article
Pages 409-414
Ali Abbas, Victor Guevara, Jose Romagnoli

Optimal sensor location and reduced order observer design for distributed process systems Original Research Article
Pages 415-420
Antonio A. Alonso, Ioannis Kevrekidis, Julio R. Banga, Christos Frouzakis

Dynamic modeling of catalytic hydrogenation of pyrolysis gasoline in trickle-bed reactor Original Research Article
Pages 421-426
A. Arpornwichanop, P. Kittisupakorn, I.M. Mujtaba

An integrated dynamic modelling and simulation system for analysis of particulate processes Original Research Article
Pages 427-432
Nicoleta Balliu, Ian Cameron, Robert Newell

Computer aided neuro-fuzzy control in anodizing of aluminium Original Research Article
Pages 433-438
A.F. Batzias, F.A. Batzias

Design of tubular reactors in recycle systems Original Research Article
Pages 439-444
Costin S. Bildea, Susana C. Cruz, Alexandre C. Dimian, Piet D. Iedema

Controllability of reactive batch distillation columns Original Research Article
Pages 445-450
Nicholas C.T. Biller, Eva Sørensen

Process control scheme for a 2-bed pressure swing adsorption plant Original Research Article
Pages 451-456
M. Bitzer, M. Zeitz

Multiobjective process controllability analysis Original Research Article
Pages 457-462
Yi Cao, Zhijia Yang

Control of the rotary calciner for soda ash production Original Research Article
Pages 463-468
V.M. Cristea, P.S. Agachi

A simulation tool for the wood drying process Original Research Article
Pages 469-474
Helge Didriksen, Jan Sandvig Nielsen

Optimisation of a methyl acetate production process by reactive batch distillation Original Research Article
Pages 475-480
S. Elgue, L. Prat, M. Cabassud, J.M. Le Lann, J. Cézerac

Computer design of a new predictive adaptive controller coupling neural networks and kalman filter applied to siso and mimo control Original Research Article
Pages 481-486
L. Ender, R. Scheffer, R. Maciel Filho

Comparison of dynamic approaches for batch monitoring Original Research Article
Pages 487-492
N.M. Fletcher, A.J. Morris, E.B. Martin

Optimisation and experimental verification of startup policies for distillation columns Original Research Article
Pages 493-498
Günter Wozny, Pu Li

Optimal number of stages in distillation with respect to controllability Original Research Article
Pages 499-504
Marius S. Govatsmark, Sigurd Skogestad

Dynamic optimisation of batch distillation with a middle vessel using neural network techniques Original Research Article
Pages 505-510
M.A. Greaves, I.M. Mujtaba, M. Barolo, A. Trotta, M.A. Hussain

A two-level strategy of integrated dynamic optimization and control of industrial processes—a case study Original Research Article
Pages 511-516
J.V. Kadam, M. Schlegel, W. Marquardt, R.L. Tousain, D.H. van Hessem, J. van den Berg, O.H. Bosgra

Bayesian parameter estimation in batch polymerisation Original Research Article
Pages 517-522
Zhen Lu, Elaine Martin, Julian Morris

Super model-based techniques for batch performance monitoring Original Research Article
Pages 523-528
Lindsay McPherson, Julian Morris, Elaine Martin

Closed loop indicators for controllability analysis Original Research Article
Pages 529-534
F. Michiel Meeuse, Yudi Samyudia, Johan Grievink

Non linear dynamics of a network of reactors with periodical feed switching Original Research Article
Pages 535-540
L. Russo, E. Mancusi, P.L. Maffettone, S. Crescitelli

Robust model-based controllers via parametric programming Original Research Article
Pages 541-546
V. Sakizlis, N.M.P. Kakalis, V. Dua, J.D. Perkins, E.N. Pistikopoulos

Dynamic trajectory optimization between unstable steady-states of a class of CSTRs Original Research Article
Pages 547-552
B. Andrea Silva, T. Antonio Flores, C. Juan José Arrieta

MPC control of a predenitrification plant using linear subspace models Original Research Article
Pages 553-558
Oscar A.Z. SotomayoR, Song W. Park, Claudio Garcia

Relational modeling of chemical processes for control logic verification Original Research Article
Pages 559-564
Adam L. Turk, Gary J. Powers

Development of dynamic models for fixed bed catalytic reactors Original Research Article
Pages 565-570
E.C. Vasco de Toledo, E.R. de Morais, R. Maciel Filho

Improving the control of an industrial sugar crystalliser: a dynamic optimisation approach Original Research Article
Pages 571-576
T.T.L. Vu, P.A. Schneider

A scheme for whole temperature profile control in distributed parameter systems Original Research Article
Pages 577-582
T Wahl, WE Jones, JA Wilson

Dynamic plantwide modelling, flowsheet simulation and nonlinear analysis of an industrial production plant Original Research Article
Pages 583-588
R. Waschler, A. Kienle, A. Anoprienko, T. Osipova

Flatness-based optimization of batch processes Original Research Article
Pages 589-594
M.E. van Wissen, S. Palanki, J. Grievink

Modeling and optimization of a sugar plant using hybrid Batch Model Predictive Control Original Research Article
Pages 595-600
Michiel E. van Wissen, Joost F.C. Smeets, Ad Muller, Peter J.T. Verheijen

Development of an internet-based process control system Original Research Article
Pages 601-606
S.H. Yang, X. Chen, D.W. Edwards, J.L. Alty

On-line optimal control of particle size distribution in emulsion polymerisation Original Research Article
Pages 607-612
J. Zeaiter, J.A. Romagnoli, G.W. Barton, V.G. Gomes

Cyclic production and cleaning scheduling of multiproduct continuous plants Original Research Article
Pages 613-618
Alessandro Alle, Jose M. Pinto, Lazaros G. Papageorgiou

Improving the efficiency of batch distillation by a new operation mode Original Research Article
Pages 619-624
H. Arellano-Garcia, W. Martini, M. Wendt, P. Li, G. Wozny