17 European Symposium on Computer Aided Process Engineering

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Series: Computer Aided Chemical Engineering 24

ISBN: 978-0-444-53157-5

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Valentin Pleşu and Paul Şerban Agachi (Eds.)978-0-444-53157-5

The 17th European Symposium on Computed Aided Process Engineering contains papers presented at the 17th European Symposium of Computer Aided Process Engineering (ESCAPE 17) held in Bucharest, Romania, from 27-30 May 2007. The ESCAPE series serves 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 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 highlights the progresss software technology needed for implementing simulation based tools.The symposium is based 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. Participants from 50 countries attended and invited speakers presented 5 plenary lectures tackling broad subjects and 10 keynote lectures. Satellite events added a plus to the scientific dimension to this symposium. * All contributions are included on the CD-ROM attached to the book* Attendance from 50 countries with invited speakers presenting 5 plenary lectures tackling broad subjects and 10 keynote lectures

Table of contents :
Content:
Preface
Page v
Valentin Pleşu, Paul Şerban Agachi

Process systems engineering and CAPE – what next? Original Research Article
Pages 1-5
Rafiqul Gani, Ignacio E. Grossmann

Reactive and hybrid separations of chemicals and bioactive substances: Modeling and optimization Original Research Article
Pages 7-8
Andrzej Górak

Crystal engineering for product and process design Original Research Article
Pages 9-10
Michael F. Doherty

Among the trends for a modern chemical engineering: CAPE an efficient tool for process intensification and product design and engineering Original Research Article
Pages 11-18
Jean-Claude Charpentier

Perspectives for process systems engineering – a personal view from academia and industry Original Research Article
Pages 19-32
Karsten-Ulrich Klatt, Wolfgang Marquardt

State-of-the art in short-term, medium-term, and reactive scheduling for large-scale batch and continuous processes Original Research Article
Pages 33-34
Christodoulos A. Floudas

Perspectives on process systems engineering R&D in support of pharmaceutical product/process development and manufacturing Original Research Article
Pages 35-38
Gintaras V. Rex Reklaitis

Neural network based predictions for the liquid crystal properties of organic compounds Original Research Article
Pages 39-44
Catalin Lisa, Silvia Curteanu

Modeling of a three-phase industrial batch reactor using a hybrid first-principles neural-network model Original Research Article
Pages 45-50
Levente L. Simon, Ulrich Fischer, Konrad Hungerbühler

Air quality prediction in Uberlândia, Brazil, using linear models and neural networks Original Research Article
Pages 51-56
Taisa S. Lira, Marcos A.S. Barrozo, Adilson J. Assis

Systematic qualitative experimental design based upon identifiability analysis Original Research Article
Pages 57-62
Florin Paul Davidescu, Henrik Madsen, Sten Bay Jørgensen

Optimal experimental design based on global sensitivity analysis Original Research Article
Pages 63-68
Maria Rodriguez-Fernandez, Sergei Kucherenko, Costas Pantelides, Nilay Shah

Basis for bond-graph modeling in chemical engineering Original Research Article
Pages 69-74
Françoise Couenne, Christian Jallut, Laurent Lefèvre, Yann Le Gorrec, Bernhard Maschke

A hybrid optimization approach to parameter estimation Original Research Article
Pages 75-80
Richard Faber, Harvey Arellano-Garcia, Günter Wozny

A graph-theory-base approach to the analysis of large-scale plants Original Research Article
Pages 81-86
Heinz A. Preisig

First principle modeling of an industrial fluid catalytic cracking – the adaptation of the model Original Research Article
Pages 87-92
Roman Raluca, Zoltán K. Nagy, Paul Ş. Agachi

The solution of DAE systems by a numerically robust and efficient solver Original Research Article
Pages 93-98
Davide Manca, Guido Buzzi-Ferraris

Spectral galerkin method in the study of mass transfer in laminar and turbulent flows Original Research Article
Pages 99-104
Tudor Boaca, Ioana Boaca

An efficient solution method for the MINLP optimization of chemical processes Original Research Article
Pages 105-110
Korbinian Kraemer, Sven Kossack, Wolfgang Marquardt

Fuzzy logic model for the performance benchmarking of sugar plants by considering best available techniques Original Research Article
Pages 111-116
Damjan Krajnc, Peter Glavič

On a new family of sectional methods for the solution of the coagulation population balance Original Research Article
Pages 117-122
Margaritis Kostoglou, Michael C. Georgiadis

Multiscale CFD simulation of a methane steam reformer for optimization of the spatial catalyst distribution Original Research Article
Pages 123-128
Matthias Pfafferodt, Peter Heidebrecht, Kai Sundmacher, Uwe Würtenberger, Marc Bednarz

A study on hydrodynamics and mass transfer of moving liquid layers using computation fluid dynamics Original Research Article
Pages 129-134
Theodoros Atmakidis, Eugeny Y. Kenig

Mixing computer algebra and numerical methods when solving CAPE models Original Research Article
Pages 135-140
Karim Alloula, Jean-Pierre Belaud, Jean-Marc Le Lann

A computer aided framework for prediction of properties of organic systems Original Research Article
Pages 141-146
Hugo E. González Villalba, Jens Abildskov, Rafiqul Gani

Automatic generation of combustion mechanisms Original Research Article
Pages 147-152
Sauro Pierucci, Eliseo Ranzi

Combining reaction kinetics to the multi-phase Gibbs energy calculation Original Research Article
Pages 153-158
Pertti Koukkari, Risto Pajarre

Modelling and simulation of multi-bed pressure swing adsorption processes Original Research Article
Pages 159-164
Dragan Nikolic, Apostolos Giovanoglou, Michael C. Georgiadis, Eustathios S. Kikkinides

An overview of the interoperability roadmap for COM/.NET-Based CAPE-OPEN Original Research Article
Pages 165-170
William M. Barrett, Michel Pons, Lars von Wedel, Bertrand Braunschweig

Experience on gridification and hyper-infrastructure experiments in optimization and process synthesis Original Research Article
Pages 171-176
Du Du, Siyu Yang, Antonis C. Kokossis, Patrick Linke

Flexibility study on site-modeling Original Research Article
Pages 177-182
Kentaro Hirata, Pang Chan, Haruo Sakamoto, Chi-Wai Hui, Sau-Man Lai

Data reconciliation of streams with low concentrations of sulphur compounds in distillation operation Original Research Article
Pages 183-188
Kaj Jakobsson, Fredrik Roswall, Kari Keskinen, Juhani Aittamaa

Measurement of plant flexibility Original Research Article
Pages 189-194
Sau-Man Lai, Chi-Wai Hui

Computer aided operation and design of the cationic surfactants production Original Research Article
Pages 195-200
Jelenka Savkovic-Stevanovic, Tatjana Mošorinac, Snežana B. Rrstic, Ružica D. Beric

Recycled liquid membranes use for oxalic acid recovery. Mathematical model and functional optimization. Original Research Article
Pages 201-206
Daniel Dinculescu, Vasile Lavric

Computer-aided multiscale modelling for chemical process engineering Original Research Article
Pages 207-212
Ricardo Morales-Rodríguez, Rafiqul Gani

Dynamics of reactive distillation processes with potential liquid phase splitting Original Research Article
Pages 213-218
Jignesh Gangadwala, Gabriel Rădulescu, Nicolae Paraschiv, Achim Kienle, Kai Sundmacher

Modeling and simulation of main cryogenic heat exchanger in a base-load liquefied natural gas plant Original Research Article
Pages 219-224
MM Faruque Hasan, Iftekhar A Karimi, Hassan Alfadala, Henk Grootjans

A deliverable from CO-LaN to CAPE-OPEN developers and users: the CAPE-OPEN logging and testing tool (COLTT) Original Research Article
Pages 225-230
Michel Pons, Peter Banks, Bertrand Braunschweig

Optimal location of booster disinfection stations in a water distribution system: A two-stage stochastic approach Original Research Article
Pages 231-236
Vicente Rico-Ramirez, Francisco Gomez-De la Cruz, Gustavo Iglesias-Silva, Salvador Hernandez-Castro

Debugging for equation-oriented CAPE tools Original Research Article
Pages 237-242
Rafael de Pelegrini Soares, Argimiro R. Secchi

Thermodynamic calculations for chemical engineering using a simulated annealing optimization method Original Research Article
Pages 243-248
Adrián Bonilla-Petriciolet, Juan Gabriel Segovia-Hernández, Florianne Castillo-Borja, Ulises Ivan Bravo-Sánchez

Mining of graphics for identification of mechanisms and trends of processes Original Research Article
Pages 249-254
Yuri Avramenko, Andrzej Kraslawski

Using moving finite elements method to solve population balance equations comprising breakage terms Original Research Article
Pages 255-260
Belmiro P.M Duarte, Cristina M.S.G. Baptista

Control loop performance assessment using ordinal time series analysis Original Research Article
Pages 261-266
Ernesto Martínez, César de Prada

On the systematic extraction of knowledge in process synthesis and chemical process design Original Research Article
Pages 267-272
Claudia Labrador-Darder, Antonis C. Kokossis, Patrick Linke

Data-driven decision support and its applications in the process industries Original Research Article
Pages 273-278
Petr Stluka, Karel Mařík

Code design as an optimization problem: from mixed integer programming to an improved high performance Randomized GRASP like algorithm Original Research Article
Pages 279-284
José Barahona da Fonseca

Exploring and improving clustering based strategies for chemical process supervision Original Research Article
Pages 285-290
Rodolfo V. Tona V., Antonio Espuña, Luis Puigjaner

A mixed integer optimisation approach for data classification with multiple groups Original Research Article
Pages 291-296
Gang Xu, Nan Shao, Lazaros G. Papageorgiou

Neural and genetic based techniques for solving the MSF model as opposed to conventional numerical methods Original Research Article
Pages 297-302
Farouq Mjalli, Nabil Abdel-Jabbar, Hazim Qiblawey, Hisham. Ettouney

Merging functional and conceptual ontologies Original Research Article
Pages 303-308
Manuel Rodríguez

Renewable raw materials: chance and challenge for computer-aided process engineering Original Research Article
Pages 309-318
Alexandre C. Dimian

Management of innovation and process systems engineering Original Research Article
Pages 319-320
Jean-Marc Le Lann, Stephane Negny

Simultaneous polymer property modeling using grid technology for structured products Original Research Article
Pages 321-326
Kavitha Chelakara Satyanarayana, Jens Abildskov, Rafiqul Gani

Identifying applicability domains for quantitative structure property relationships Original Research Article
Pages 327-332
Mordechai Shacham, Neima Brauner, Georgi St. Cholakov, Roumiana P. Stateva

Prediction of binary interaction coefficient and critical parameters of cholesterol in supercritical carbon dioxide Original Research Article
Pages 333-338
Hatem Ksibi, Ali Ben Moussa

Modelling and parameter estimation for transport processes in zeolite membranes Original Research Article
Pages 339-344
Raluca Isopescu, José Sanchez, Cristiana Luminiţa Gîjiu, Romulus Dima, Ovidiu Muntean

Improving the efficiency of membrane bioreactors by a novel model-based control of membrane filtration Original Research Article
Pages 345-350
Anja Drews, Harvey Arellano-Garcia, Jan Schöneberger, Jana Schaller, Matthias Kraume, Günter Wozny

Logic based algorithms for the rigorous design of thermally coupled distillation sequences Original Research Article
Pages 351-356
José A. Caballero, Ignacio E. Grossmann

Design and control of PFR – Separation – Recycle systems with simultaneous exothermic and endothermic reactions Original Research Article
Pages 357-362
Costin S. Bildea, Klaas Steur, Alexandre C. Dimian

Modelling, design and optimisation of a hybrid PSA-membrane gas separation process Original Research Article
Pages 363-370
Charles O. Akinlabi, Dimitrios I. Gerogiorgis, Michael C. Georgiadis, Efstratios N. Pistikopoulos

Process and plant improvement using extended exergy analysis, a case study Original Research Article
Pages 371-376
Alhassan S. Tijani, Werner Witt, Ludwig Dietzsch

Design of non-isothermal process water networks Original Research Article
Pages 377-382
Miloš Bogataj, Miguel J. Bagajewicz

Decision process modeling in chemical engineering design Original Research Article
Pages 383-388
Manfred Theißen, Wolfgang Marquardt

Solvent selection evaluation tools for an early stage at pharmaceutical process Original Research Article
Pages 389-394
Samuel Perez, Paul Sharratt

Model-based hybrid reaction-separation process design Original Research Article
Pages 395-400
Piotr Tomasz Mitkowski, Gunnar Jonsson, Rafiqul Gani

Hybrid modelling methodology to implement chemical process models as phenomena-based modules Original Research Article
Pages 401-406
Jorge A. Arizmendi-Sánchez, Paul N. Sharratt

Multi-objective design of reactive distillation Original Research Article
Pages 407-412
Rui M. Filipe, Steinar Hauan, Henrique A. Matos, Augusto Q. Novais

A methodology for the approximate stochastic synthesis of flexible chemical processes Original Research Article
Pages 413-418
Zorka Novak Pintarič, Zdravko Kravanja

An iterative solution approach to process plant layout using mixed integer optimisation Original Research Article
Pages 419-424
Gang Xu, Lazaros G. Papageorgiou

Nonlinear behavior of reactor-separator and reactor-distillation networks: Influence of the energy balance formulation Original Research Article
Pages 425-430
Klaus-Peter Zeyer, Amol A. Kulkarni, Achim Kienle, Vasudeva Kumar Mantravadi, Pushpavanam Subramanian

Process synthesis for the sugar sector – computer based insights in industrial development Original Research Article
Pages 431-436
Laszlo Halasz, Gemot Gwehenberger, Michael Narodoslawsky

Integrated knowledge based system for process synthesis Original Research Article
Pages 437-442
Abdullah Alqahtani, Klaus Hellgardt, Richard Holdich, Iain Cumming

Reactive distillation process analysis in a divided wall column Original Research Article
Pages 443-448
Gheorghe Bumbac, Alexandra Elena Pleşu, Valentin Pleşu

Integrated product and process design approach for rationalization of food products Original Research Article
Pages 449-454
Cristhian Almeida-Rivera, Puneet Jain, Solke Bruin, Peter Bongers

Model based design of polymer product Original Research Article
Pages 455-460
Dulce C.M. Silva, Nuno M.C. Oliveira

A hierarchal approach based on reverse design algorithm for simultaneous design and analysis of product and processes. Original Research Article
Pages 461-466
Vipasha Soni, Jens Abildskov, Gunnar Jonsson, Rafiqul Gani

Overcoming equilibrium limitations in reactive dividing-wall columns Original Research Article
Pages 467-472
Anton A. Kiss, Hans Pragt, Cornald van Strien

Design and scheduling of periodic multipurpose batch plants under uncertainty Original Research Article
Pages 473-478
Tânia Rute Pinto, Ana Paula F. D. Barbósa-Póvoa, Augusto Q. Novais

Influence of brine spray system on the thermal salt recrystallisation process by dynamic simulation Original Research Article
Pages 479-484
Raquel D. Moita, Henrique A. Matos, Cristina Fernandes, Clemente P. Nunes, Mário J. Pinho

Integration of process modeling with laboratory experiments in conceptual design: Bio-based glycerol dehydration case study Original Research Article
Pages 485-490
Jeffrey R. Seay, Mario R. Eden, Robert D’Alessandro, Thomas Thomas, Hubert Redlingshoefer, Christoph Weckbecker, Klaus Huthmacher

A model of grinding-classification circuit including particles size distribution and liberation of material: Application to the design and retrofit of flotation circuit Original Research Article
Pages 491-496
David A. Méndez, Edelmira D. Gálvez, Luis A. Cisternas

OptWatNet ‐ a software for the optimal design of water-using networks with multi-contaminants Original Research Article
Pages 497-502
João P. Teles, Pedro M. Castro, Augusto Q. Novais

A mathematical programming approach to the analysis, design and scheduling of offshore oilfields Original Research Article
Pages 503-508
Richard J. Barnes, Antonis Kokossis

CFD study of gas mixing efficiency and comparisons with experimental data Original Research Article
Pages 509-514
Edward Rój, Marek Dmoch

Modeling of trickle bed reactor for hydrotreating of vacuum gas oils: effect of kinetic type on reactor modeling Original Research Article
Pages 515-520
Favio Jiménez, Karina Ojeda, Eduardo Sánchez, Viatcheslav Kafarov, Rubens Maciel Filho

An efficient approach to robust simulation of claus processes in coking plants Original Research Article
Pages 521-526
Jan Schöneberger, Harvey Arellano-Garcia, Holgert Thielert, Günter Wozny

Pressure-driven steady-state simulation of oilfield infrastructure Original Research Article
Pages 527-532
Pascal Floquet, Xavier Joulia, Alain Vacher, Martin Gainville, Michel Pons

Model requirement for control design of an LNG process Original Research Article
Pages 533-538
Arjun Singh, Morten Hovd

A production allocation framework for natural gas production systems Original Research Article
Pages 539-544
Paul I. Barton, Ajay Selot

Modeling and optimisation of a rinsing process in a recycled plastic plant Original Research Article
Pages 545-550
Piyanuch Thitiyasook, Paisan Kittisupakorn, Sathit Niamsuwan, Kwantip Konakom

Making soda ash manufacture more sustainable. A modeling study using ASPEN Plus Original Research Article
Pages 551-556
Ana-Maria Cormos, Calin-Cristian Cormos, Paul Ş. Agachi

Steady-state optimisation of the leaching process at Kwinana Nickel refinery Original Research Article
Pages 557-562
Travis M. Woodward, Parisa A. Bahri

A method for quick evaluation of stepwise plant expansion scenarios in the chemical industry Original Research Article
Pages 563-568
Jan Oldenburg, Martin Schlegel, Jan Ulrich, Thieu-Luan Hong, Bernhard Krepinsky, Georg Grossmann, Axel Polt, Heinrich Terhorst, Joost-Willem Snoeck

Parametric programming & control: from theory to practice Original Research Article
Pages 569-574
Efstratios N. Pistikopoulos, Michael C. Georgiadis, Vivek Dua

Large-scale nonlinear programming: an integrating framework for enterprise-wide dynamic optimization Original Research Article
Pages 575-582
Lorenz T. Biegler

Optimal sizing of production units for goods subject to stochastic demand Original Research Article
Pages 583-588
Belmiro P.M. Duarte, Nuno M.C. Oliveira, Jorge S. Mariano

Scheduling challenges in biopharmaceutical manufacturing Original Research Article
Pages 589-594
Alexandros Koulouris, Charles A. Siletti, Demetri P. Petrides

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