17 European Symposium on Computer Aided Process Engineering

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