17th European Symposium on Computer Aided Process Engineering

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 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 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