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Series F: Computer and Systems Sciences, Vol. 143

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Batch Processing Systems Engineering Fundamentals and Applications for Chemical Engineering

Edited by

Gintaras V. Reklaitis School of Chemical Engineering, Purdue University West Lafayette, IN 47907, USA

Aydin K. Sunol Department of Chemical Engineering, College of Engineering University of South Florida, 4202 East Fowler Avenue, ENG 118 Tampa, FL 33620-5350, USA

David W. T. Rippint Laboratory for Technical Chemistry, Eidgenossische Technische Hochschule (ETH) Zurich, Switzerland

Oner Hortagsu Department of Chemical Engineering, Bogazi<;i University TR-80815 Bebek-Istanbul, Turkey

Springer Published in cooperation with NATO Scientific Affairs Division

Proceedings of the NATO Advanced Study Institute on Batch Processing Systems Engineering: Current Status and Future Directions, held in Antalya, Turkey, May 29 - June 7,1992

Library of Congress Cataloging-in-Publication data applied for

CR Subject Classification (1991): J.6, 1.6, J.2, G.1, J.7, 1.2

ISBN-13: 978-3-642-64635-5 e-ISBN-13: 978-3-642-60972-5 DO I: 10.1007/978-3-642-60972-5

Springer-Verlag Berlin Heidelberg New York

This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights oftranslation, reprinting, reuse of illustrations, recitation, broadcast­ing, reproduction on microfilms or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer-Verlag. Violations are liable for prosecution under the German Copyright Law.

© Springer-Verlag Berlin Heidelberg 1996 Softcover reprint of the hardcover 1st edition 1996

Typesetting: Camera-ready by editors Printed on acid-free paper SPIN: 10486088 45/3142 - 5 4 3 210

Preface

Batch Chemical Processing, that ancient and resilient mode of chemical manufacture, has in the

past decade enjoyed a return to respectability as a valuable, effective, and, indeed, in many

instances, preferred mode of process operation. Batch processing has been employed in the past

in many sectors of chemical processing industries including food, beverage, pharmaceuticals,

agricultural chemicals, paints, flavors, polymers, and specialty chemicals. The batch mode is

increasingly being rediscovered by sectors that neglected it as the industry is focusing on more

specialized, application tailored, small volume but higher margin products. Moreover, as

information and control technologies have become both more technically accessible and

economically affordable, the operation of batch facilities has become more efficient, gradually

shifting from the conservative and simple operating strategies based on dedicated and cyclically

operating trains to more sophisticated and complex operating strategies involving flexibly

configured production lines using multi-functional equipment and employingjust-in-time inventory

management strategies.

The effects of these trends on the process systems engineering community has been a

renewed intensity of efforts in research and development on computational approaches to

modeling, design, scheduling, and control problems which arise in batch processing. The goal of

the NATO Advanced Study Institute (ASI), held from May 29 to June 7, 1992, in Antalya,

Turkey, was to review state-of-the-art developments in the field of batch chemical process systems

engineering and provide a forum for discussion of the future technical challenges which must be

met. Included in this discussion was a review of the current state of the enabling computing

technologies and a prognosis of how these developments would impact future progress in the

batch domain.

The Institute was organized into two interrelated sections. The first part dealt with the

presentations on the state of the batch processing in the Chemical Process Industries (CPI),

discussion of approaches to design and operation of more complex individual unit operations,

followed by the reviews of the enabling sciences. This four-day program served to set the stage

for a five-day program of discussions on the central problem areas of batch processing systems

VI

engineering. That discussion was preceded by a one-day interlude devoted to software

demonstrations, poster sessions, and small group meetings. A unique feature of this ASI was the

presence of a computer room at the hotel site equipped with an llM RISC workstation, terminals,

and personal computers which could be used for application software demonstrations and trials.

The Institute opened with industrial and academic perspectives on the role of batch

processing systems engineering in the CPI. Two presentations on the status of batch processing

systems engineering in Japan and Hungary provided perspectives on developments in the Far East

and the former eastern block countries. The Japanese innovations in batch plant organization using

moveable vessels offered insights into materials handling arrangements particularly suitable for

multiproduct, smaIl-batch production environments. These presentations were followed by a suite

of papers describing applications in CPI sectors such as polymer processing, food and beverages,

biochemical, specialty chemicals, textile, and leather industries.

The more complex batch unit operations which give rise to special modeling, design, and

control problems were given attention in separate lectures. These included batch distiIlation,

reactors with complex reacting systems, and sorptive separation systems. These presentations

were complemented by expositions on the estimation and unit control issues for these more

complex systems.

The three categories of enabling technologies which were reviewed were simulation,

mathematical programming, and knowledge based systems. The simulation component included

discussion of solution techniques for differential algebraic systems, the elements of

discrete/continuous simulation, and available simulation environments, as well as prospects

offered by advanced computer architectures. The mathematical programming review included a

critical assessment of progress in nonlinear optimization and mixed integer programming domains.

The knowledge based systems program consisted of a review of the field, continued with its

elements and closed with more advanced topics such as machine learning including neural

networks.

During the fifth day, attendees divided into small discussion groups on specific topics,

participated in the software demonstrations and workshops, and participated in the poster sessions.

The software demonstrations included the DICOPT MlNLP solver from Carnegie Mellon

University, the BATCHES simulation system from Batch Process Technologies, and the BATCH­

KIT system (a knowledge based support systems for batch operations scheduling) developed at

ETHZurich.

VII

The central problem areas in batch process systems engineering are those of plant and

process design and plant operations. One day was devoted to the former topic, focusing especially

on retrofit design as well as approaches to incorporating uncertainty in the design of processing

systems. The second day was devoted to scheduling and planning, including consideration of the

integration issues associated with linking the control, scheduling, and planning levels of

operational hierarchy. The Institute concluded with plenary lectures on future of batch processing

systems engineering and an open forum on questions which arose or were stimulated during the

course of the meeting.

The ASI clearly could not have convened without the financial resources provided by the

Scientific and Environmental Affairs Division of NATO. The support, advice, and understanding

provided by NATO, especially through the Division Director Dr. L. V. da Cunha, is gratefully

acknowledged. The additional financial support for specific attendees provided by the NATO

offices of Portugal and Turkey and by the US National Science Foundation is highly appreciated.

The enthusiastic and representative participation of the batch processing systems

engineering community was important for the realization of the goals of the ASI. Fortunately, such

participation was realized. Indeed, since the participation represented all the main research groups

in this domain, at one point the meeting concerns were voiced about the dire fate of the field if

some calamity were to visit the conference site. Fortunately, these concerns were abated the next

morning when the participants were greeted by maneuvers of NATO naval forces in Antalya bay.

Without question, the active participation of the distinguished lecturers, session chairs, reviewers,

and participants made this Advanced Study Institute a great success. Thanks are due to all!

Most of the manuscripts were updated considerably beyond the versions made available

to attendees during the Institute and we thank the authors for their diligent work. We sincerely

appreciate Springer-Verlag's understanding with unforeseeable delays with the manuscript as well

as their kind assistance throughout this endeavor. Special thanks are due to Dr. Hans Wossner and

1. Andrew Ross.

Finally, the organizers would like to recognize the help of the following individuals and

organizations without whom the Institute would have considerably diminished if not ineffective:

Sermin Gonen~ (now Sunol), Muzaffer Kapanoglu, Praveen Mogili, <;:agatay Ozdemir, Alicia

Balsera, Shauna Schullo, Nihat Giirmen, C. Chang, and Burak Ozyurt for assistance with

brochures, program, re-typing, indexing, and correspondence; Dean M. Kovac and Chairman R.

Gilbert of University of South Florida for supplementary financial support; Bogazi~i Turizm Inc.

VIII

and Tamer Tours for local arrangements in Turkey and social programs; IBM Turkey, especially

Mtinire Ankol, for the RISC Station and personal computers; Canan Tamerler and Vildan Din~bR§

(ASI's Angels) for tireless help accompanied by perpetual smiles throughout the AS I; and Falez

Hotel management and staff, especially Filiz Giiney, for making our stay a very pleasant one.

The idea of organizing a NATO ASI on systems engineering goes back to 1988 and was

partially motivated by AKS's desire to do something in this domain at home for Turkey. However,

its realization was accompanied by personal losses and impeded by unanticipated world events.

A week before the proposal was due AKS lost his best friend, mentor, and mother, Mefharet

Sunol. The Institute had to be postponed due to the uncertainties arising from the Gulf crisis. A

few months before finalization ofthis volume, our dear friend and esteemed colleague, Prof David

W. T. Rippin passed away. It is fitting that this proceedings volume be dedicated to the memories

of Mefharet Sunol and David Rippin.

Gintaras V. Reklaitis and Aydm K. Sunol

West Lafayette, Indiana and Tampa, Florida

September 1996

List of Contributors and Their Affiliation

Organizing Committee and Director

Dner Horta~su, Chemical Engineering Department, Bogazi~i Universitesi, Istanbul, Turkey

Gintaras. V. Reklaitis, School of Chemical Engineering, Purdue University, USA

David W.T. Rippin, Technical Chemistry Lab, ETH Zurich, Switzerland

Director: Aydm K. Sunol, Chemical Engineering Department, University of South Florida, USA

Main Lecturers and Their Current Affiliation

Michel Lucet, Rhone Poulenc, France

Sandro Macchietto, Imperial College, UK

Rodger Sargent, Imperial College, UK

A1irio Rodriguez, University of Porto, Portugal

John F. MacGregor, McMaster University, Canada

Christos Georgakis, Lehigh University, USA

Arthur W. Westerberg, Carnegie Mellon University, USA

Ignacio E. Grossmann, Carnegie Mellon University, USA

Giresh S. Joglekar, Batch Process Technologies, USA

Jack W. Ponton, University of Edinburgh, UK

Kristian M. Lien, Norwegian Institute of Technology, Norway

Luis Puigjaner, Catalunya University, Spain

Special Lecturers

Mukul Agarwal, ETH Zurich, Switzerland

RIdvan Berber, Ankara Universitesi, Turkey

Cristine Bernot, University of Massachusetts, USA

x

Ali Cmar, lIT, USA

Shinji Hasebe, Kyoto University, Japan

Laszlo Halasz, ETH, Switzerland

Gyula Kortvelyessy, SZEVIKI R&D Institute, Hungary

Joe Pekny, Purdue University, USA

Dag E. Ravemark, ETH, Switzerland

Nilay Shah, Imperial College, University of London, UK

Eva Sorensen, University ofTrondheim, Norway

Venkat Venkatasubramanian, Purdue University, USA

Zentner M. G., Purdue University, USA

Denis L.J. Mignon, Universite Catholique de Louvain, Belgium

Session Chairs (In Addition to Organizers and Lecturers)

Yaman Arkun, Georgia Tech, USA

Tiirker Giirkan, METU, Turkey

lisen Onsan, Bogazi~i Universitesi, Turkey

Canan Ozden, METU, Turkey

L. H. Garcia-Rubio, University of South Florida, USA

Additional Poster Contributors

Bela Csukas, Vezsprem University, Hungary

Bilgin Klsakiirek, METU, Turkey

Table of Contents

Plenary Papers

Current Status and Challenges of Batch Process Systems Engineering David W T. Rippin

Future Directions for Research and Development in Batch Process Systems Engineering ........................................................................................................ 20 Gintaras V Reklaitis

Status of Batch Processing Systems Engineering in the World

Role of Batch Processing in the Chemical Process Industry ........................................... 43 Michel Lucet, Andre Charamel, Alain Chapuis, Gilbert Guido, and Jean Loreau

Present Status of Batch Process Systems Engineering in Japan Shinji Hasebe and 10ri Hashimoto

Batch Processing Systems Engineering in Hungary Gyula K6rlvelyessy

Design of Batch Processes

49

78

Design of Batch Processes ............................................................................................... 86 L. Puigjaner, A. Espuiia, G. Santos, and M Graells

Predesigning a Multiproduct Batch Plant by Mathematical Programming Dag E. Ravemark and D. W T. Rippin

The Influence of Resource Constraints on the Retrofit Design of Multipurpose

114

Batch Chemical Plants ..................................................................................................... 150 Savoula Papageorgaki, Athanasios G. Tsirukis, and Gintaras V Reklaitis

Design of Operation Policies for Batch Distillation Sandro Macchietto and LM Mujtaba

174

Sorption Processes ...................... ... ............... ............. .... ... ......... ........ .......... ...... ... ... ..... .... 216 Alirio E. Rodrigues and Zuping Lu

Control of Batch Processes

Monitoring Batch Processes ............................................................................................. 242 John F MacGregor and Paul Nomikos

XII

Tendency Models for Estimation, Optimization and Control of Batch Processes ........... 259 Christos Georgakis

Control Strategies for a Combined Batch Reactor / Batch Distillation Process .............. 274 Eva Sr/H"ensen and Sigord Skogestad

A Perspective on Estimation and Prediction for Batch Reactors ..................................... 295 Mukul Agarwal

A Comparative Study of Neural Networks and Nonlinear Time Series Techniques for Dynamic Modeling of Chemical Processes ............................................ 309 A. Raich, X Wu, H F. Lin, and Ali (:mar

Enabling Sciences: Simulation Techniques

Systems of Differential-Algebraic Equations R. W H Sargent

Features of Discrete Event Simulation ............................................................................ . Steven M Clark and Girish S. Joglekar

331

361

Simulation Software for Batch Process Engineering ....................................................... 376 Steven M Clark and Girish S. Joglekar

The Role of Parallel and Distributed Computing Methods in Process Systems Engineering ........................................................................................... 393 Joseph F. Pekny

Enabling Sciences: Mathematical Programming

Optimization .. .................... .... ........ ........... ... ....... ..... ............. ..... ...... ..... ... ............ ....... ...... 417 Arthur W Westerberg

Mixed-Integer Optimization Techniques for the Design and Scheduling of Batch Processes ................................................................................................................ 451 Ignacio E. Grossmann, Ignacio Quesada, Ramesh Raman, and Vasilios T Voudouris

Recent Developments in the Evaluation and Optimization of Flexible Chemical Processes .......................................................................................................... 495 Ignacio E. Grossmann and David A. Straub

Enabling Sciences: Knowledge Based Systems

Artificial Intelligence Techniques in Batch Process Systems Engineering ..................... 517 Jack W Ponton

Elements of Knowledge Based Systems - Representation and Inference ....................... 530 Kristian M Lien

Selected Topics in Artificial Intelligence for Planning and Scheduling Problems, Knowledge Acquisition, and Machine Learning .............................................................. 595 Aydm K. Sunol, MuzaJfer Kapanoglu, and Praveen Mogili

XIII

Integrating Unsupervised and Supervised Learning in Neural Networks for Fault Diagnosis ................................................................................................................. 631 Venkat Venkatasubramanian and Surya N Kavuri

Scheduling and Planning of Batch Processes

Overview of Scheduling and Planning of Batch Process Operations ....... ...... ....... ...... .... 660 Gintaras V Reklaitis

GanttKit - An Interactive Scheduling Tool ..................................................................... 706 L. Halasz, M Hofmeister, and David W T Rippin

An Integrated System for Batch Processing ..................................................................... 750 S. Macchietto, C. A. Crooks, and K. Kuriyan

An Interval-Based Mathematical Model for the Scheduling of Resource-Constrained Batch Chemical Processes .... ............... ... ........ ............ ....... .......... 779 M G. Zentner and Gintaras V Reklaitis

Applications of Batch Processing in Various Chemical Processing Industries

Batch Processing in Textile and Leather Industry ............................................................ 808 L. Puigjaner, A. Espufza, G. Santos, and M Graells

Baker's Yeast Plant Scheduling for Wastewater Equalization ........................................ 821 Neyyire (Renda) Tilmsen, S. Giray Velioglu, and Oner Hortar;su

Simple Model Predictive Control Studies on a Batch Polymerization Reactor ............... 838 Ali Karaduman and Ridvan Berber

Retrofit Design and Energy Integration of Brewery Operations .. ............. ....... ................ 851 Denis J Mignon

List of Participants 863

Index ................................................................................................................................ 867