19th European Symposium on Computer Aided Process Engineering: ESCAPE-19: June 14-17, 2009, Cracow, Poland (Volume 26) (Computer Aided Chemical Engineering, Volume 26)

The 19th European Symposium on Computer Aided Process Engineering contains papers presented at the 19th European Symposium of Computer Aided Process Engineering (ESCAPE 19) held in Cracow, Poland, June 14-17, 2009.The ESCAPE series serves as a forum for scientists and engineers from academia and industry to discuss progress achieved in the area of CAPE. * CD-ROM that accompanies the book contains all research papers and contributions * International in scope with guest speeches and keynote talks from leaders in science and industry * Presents papers covering the latest research, key top areas and developments in computer aided process engineering (CAPE) Content: Edited by Page iii Copyright Page iv Preface Page xxi Jacek Jeżowski, Jan Thullie International Scientific Committee Pages xxiii-xxvi National Organising Committee Page xxvii On the appropriate architecture of the water/wastewater allocation problem in process plants Original Research Article Pages 1-20 Miguel J. Bagajewicz, Debora C. Faria Perspectives of Application of Computer Aided Process Engineering Tools in Clinical Medicine Original Research Article Pages 21-24 Eugene J. Kucharz The Development of an Advanced Systems Synthesis Environment: Integration of MI(NL)P Methods and Tools for Sustainable Applications Original Research Article Pages 25-35 Zdravko Kravanja Integration of chemical product development, process synthesis, and operation optimization Original Research Article Pages 37-42 Xiuxi Li, Yun Chen, Yu Qian Uncertainty, decomposition and feedback in batch production scheduling Original Research Article Pages 43-62 Sebastian Engell Hybrid Molecular QSAR Model for Toxicity Estimation: Application to Ionic Liquids Original Research Article Pages 63-67 Ángel Irabien, Aurora Garea, Patricia Luis Prediction of Phase Equilibrium Related Properties by Correlations Based on Similarity of Molecular Structures Original Research Article Pages 69-74 Neima Brauner, Mordechai Shacham, Roumiana P. Stateva, Georgi St. Cholakov Systematic selection of extraction solvents in the aromatics production Original Research Article Pages 75-80 Dina M.J. Machado, Filipe J.M. Neves, Fernando P. Mendes, Paulo P. Araújo, Belmiro P.M. Duarte, Nuno M.C. Oliveira Towards Nanomaterial Design Automation: Hierarchical Computational Architecture Development Original Research Article Pages 81-86 Jie Xiao, Yinlun Huang Vibrational spectra of methane hydrate by Molecular Dynamics Original Research Article Pages 87-92 Verónica Janeth Landín-Sandoval, Florianne Castillo-Borja, Ulises Iván Bravo-Sánchez, Richart Vázquez-Román A Comparison of Deterministic and Stochastic Approaches to Solve the Facility Layout Problem with Toxic Releases Original Research Article Pages 93-98 Christian O. Diaz, Richart Vázquez-Román, Seungho Jung, M. Sam Mannan Analysis of chemical routes and processes for production of glycerol ethers Original Research Article Pages 99-104 Costin Sorin Bildea, Cristian Brunchi, Grigore Bozga Model-based retrofit design and analysis of petrochemical processes Original Research Article Pages 105-110 Jamal Rashed, Rafiqul Gani Modelling and experimental validation of emulsification process in continuous rotor-stator units Original Research Article Pages 111-116 Cristhian Almeida-Rivera, Peter M.M. Bongers Modeling and simulation of a hybrid separation process for the carbon dioxide removal of the oxidative coupling of methane process Original Research Article Pages 117-122 S. Stünkel, O. Litzmann, J.-U. Repke, G. Wozny Analysis of oxidative coupling of methane in membrane reactors Original Research Article Pages 123-128 H.R. Godini, H. Arellano-Garcia, M.R. Omidkhah, G. Wozny Impact resistance of hetero-phase polymeric materials Original Research Article Pages 129-133 Blanka Ledvinkova, Martin Klejch, Tomas Gregor, Zdenek Grof, Juraj Kosek Information flow modeling and data mining in high-throughput discovery of functional nanomaterials Original Research Article Pages 135-140 Yang Yang, Xue Wang Model Based Prediction of Crystal Shape Distributions Original Research Article Pages 141-146 Christian Borchert, Doraiswami Ramkrishna, Kai Sundmacher Multi-objective dynamic optimization of fixed bed dryers: simulation and experiments Original Research Article Pages 147-152 Marcia P. Vega, Mauricio C. Mancini, Luis A. Calçada Decomposition Techniques for Multiscale Structured Product Design: Molecular Synthesis Original Research Article Pages 153-158 Charles C. Solvason, Nishanth G. Chemmangattuvalappil, Mario R. Eden Ontological informatics based decision support system for pharmaceutical product development: Milling as a case study Original Research Article Pages 159-164 Pavan Kumar Akkisetty, Gintaras V Reklaitis, Venkat Venkatasubramanian Selection of process scheme and conditions for drying of pharmaceutical materials Original Research Article Pages 165-170 Yuri Avramenko, Andrzej Kraslawski A first-principles model for the freezing step in ice cream manufacture Original Research Article Pages 171-176 Bogdan Dorneanu, Costin S. Bildea, Johan Grievink, Peter M. Bongers A Framework for Solvent Selection Based on Optimal Separation Process Design and Controllability Properties Original Research Article Pages 177-181 Athanasios I. Papadopoulos, Panos Seferlis Design and Optimization of Advanced Materials and Processes for Efficient Hydrogen storage Original Research Article Pages 183-188 Michael C. Georgiadis, Efstathios S. Kikkinides, Sofoklis S. Makridis, Konstantinos Kouramas, Efstratios N. Pistikopoulos Design and Optimization of Thermally Coupled Extractive Distillation Sequences Original Research Article Pages 189-194 Roberto Gutierrez-Guerra, Juan-Gabriel Segovia-Hernández, Salvador Hernandez, Adrian Bonilla-Petriciolet, Hector Hernández Evaluation and Application of the Extended TBP Curves in Processing and Refining of Heavy Oil Fractions Original Research Article Pages 195-200 José F. Cuadros, Rubens Maciel Filho, Maria R.W. Maciel, Cesar Benedito Batistella, Lilian C. Medina Integrated Design of Solvent-Based Extractive Separation Processes Including Experimental Validation Original Research Article Pages 201-206 P Lek-utaiwan, B Suphanit, N Mongkolsiri, R Gani Liquid solutions evaporation accompanied with mass transfer resistance in liquid phase Original Research Article Pages 207-211 Janusz Dziak, Jacek Kapłon, Lechosław Królikowski, Wojciech Ludwig, Wojciech Sawiński Mineral Processing Flow Sheet Design Through A Group Contribution Method Original Research Article Pages 213-218 Gonzalo I. Herrera, Edelmira D. Gálvez, Luis A. Cisternas Modeling of separation process in a chromatographic column packed with porous adsorbents Original Research Article Pages 219-223 Georg Fieg, Yan-Ming Gao, Xing Luo Process and Equipment Design Optimising Product properties and attributes Original Research Article Pages 225-230 Peter M.M. Bongers Product Driven Process Synthesis Methodology Original Research Article Pages 231-236 Peter M.M. Bongers, Cristhian Almeida-Rivera Property based product design using combined property clustering and GC + techniques Original Research Article Pages 237-242 Nishanth G. Chemmangattuvalappil, Charles C. Solvason, Mario R. Eden Reaction networks – A rapid screening method Original Research Article Pages 243-248 Anna Besler, Andreas Harwardt, Wolfgang Marquardt The Virtual Product-Process Design Laboratory as a Tool for Product Development Original Research Article Pages 249-254 Elisa Conte, Ricardo Morales-Rodriguez, Rafiqul Gani Anomaly detection in batch chemical processes Original Research Article Pages 255-260 Isaac Monroy, Gerard Escudero, Moisès Graells Data-driven generation of multi-modal control programs for continuous-discrete processes Original Research Article Pages 261-266 Mariano De Paula, Ernesto Martínez DICA enhanced SVM classification approach to fault diagnosis for chemical processes Original Research Article Pages 267-272 Isaac Monroy, Raul Benitez, Gerard Escudero, Moisès Graells Inferential estimation of kerosene dry point in refineries with varying crudes Original Research Article Pages 273-278 Chang Zhou, Qiyue Liu, Dexian Huang, Jie Zhang Model-Based Linear Control of Polymerization Reactors Original Research Article Pages 279-284 Héctor Hernández-Escoto, Salvador Hernández-Castro, Juan Gabriel Segovia-Hernández, Antonio García-Martínez Optimal bifurcation tailoring based transition control of reactor separation recycle systems Original Research Article Pages 285-290 Pietro Altimari, Lucia Russo, Erasmo Mancusi, Costin Sorin Bildea, Silvestro Crescitelli Quality by design approach in drying process organization Original Research Article Pages 291-296 Alexander Troyankin, Anton Kozlov, Alexander Voynovskiy, Natalia Menshutina Robust Multi-Parametric Model-Based Control Original Research Article Pages 297-302 Efstrations N. Pistikopoulos, Konstantinos I. Kouramas, Nuno P. Faísca Adaptation and testing of data reconciliation software for CAPE-OPEN compliance Original Research Article Pages 303-308 Eric Radermecker, Marie-Noëlle Dumont, Georges Heyen A LabVIEW-based intelligent system for monitoring of bioprocesses Original Research Article Pages 309-314 Elmer Ccopa Rivera, Félix de Farias Junior, Daniel Ibraim Pires Atala, Rafael Ramos de Andrade, Aline Carvalho da Costa, Rubens Maciel Filho Approximate Method for Optimal Instrumentation Network Design Original Research Article Pages 315-320 Duy Quang Nguyen, Miguel Bagajewicz A software tool for design of process monitoring and analysis systems Original Research Article Pages 321-326 Ravendra Singh, Krist V. Gernaey, Rafiqul Gani Enhanced Predictive Modeling Using Multi Block Methods Original Research Article Pages 327-332 Jeong Jin Hong, Jie Zhang, Julian Morris Development and Experimental Verification of Model-Based Process Control using Mixed-Reality Environments Original Research Article Pages 333-337 Udo Schubert, Harvey Arellano-Garcia, Günter Wozny Fault detection of dynamic processes using a simplified monitoring-specific CVA state space approach Original Research Article Pages 339-344 Shallon Stubbs, Jie Zhang, Julian Morris Fault diagnosis and process monitoring through model-based and case based reasoning Original Research Article Pages 345-350 Nelly Olivier-Maget, Stéphane Negny, Gilles Hétreux, Jean-Marc Le Lann Online monitoring of nanoparticle suspensions using dynamic light scattering, ultrasound spectroscopy and process tomography Original Research Article Pages 351-356 Xue Z Wang, Lande Liu, Ruifa Li, Richard J Tweedie, Ken Primrose, Jason Corbett, Fraser McNeil-Watson Variance of Estimates in Dynamic Data Reconciliation Original Research Article Pages 357-362 Christophe Ullrich, Georges Heyen, Carine Gerkens A Hybrid Multiple Populations Evolutionary Algorithm for Two Stage Batch Planning Problems with Disjunctive Decisions Original Research Article Pages 363-368 Thomas Tometzki, Sebastian Engell A MILP Scheduling Model for Multi-stage Batch Plants Original Research Article Pages 369-374 Georgios M. Kopanos, Luis Puigjaner Factory operations modelling methodology applied to a case study Original Research Article Pages 375-380 Peter M.M. Bongers, Bas H. Bakker Integrated Operational Planning and Scheduling under Uncertainty Original Research Article Pages 381-386 Peter M. Verderame a , Christodoulos A. Floudas b Iterative learning control of a crystallisation process using batch wise updated linearised models identified using PLS Original Research Article Pages 387-392 Jie Zhang, Jerome Nguyan, Julian Morris Medium-term planning of multistage multiproduct continuous plants using mixed integer optimisation Original Research Article Pages 393-398 Songsong Liu, Jose M. Pinto, Lazaros G. Papageorgiou Optimal operation of a real multiproduct pipeline and storage system: Economical versus Operational Objectives Original Research Article Pages 399-404 Susana Relvas, Ana Paula F.D. Barbosa-Póvoa, Henrique A. Matos Optimal Scheduling of Multistage, Multiproduct, Batch Plants with Parallel Units and Sequence Dependent Changeovers Original Research Article Pages 405-409 Pedro M. Castro, Augusto Q. Novais Optimisation of Design, Operation and Scheduling of Batch Reactive Distillation Process with Strict Product Specification and Fixed Product Demand using gPROMS Original Research Article Pages 411-415 Elmahboub A. Edreder, Iqbal M. Mujtaba, Mansour Emtir Planning and Scheduling of Solar Salt Harvest Original Research Article Pages 417-422 Luis Cisternas, Patricio Pinto, Karla Ossandón Scheduling of a Multiproduct Batch Plant under Multiperiod Demand Uncertainties by Means of a Rolling Horizon Strategy Original Research Article Pages 423-428 Jian Cui, Sebastian Engell Short-Term Operational Planning of Multiple-Source Refined Products Pipelines Original Research Article Pages 429-433 Diego C. Cafaro, Jaime Cerdá How a process simulator and a rule-based system contribute to virtual reality applications for process safety Original Research Article Pages 435-439 Xiaolei Shang, Paul Chung, Jeff Fry, Luca Vezzadini, Mauro Colombo Data Driven Tuning of State Space Control loops with unknown state information and model uncertainty. Original Research Article Pages 441-446 Jakob Kjøbsted Huusom, Niels Kjølstad Poulsen, Sten Bay Jørgensen Effect of Multiple Steady-States on Operation Strategy and Control Structure for a Heat Integrated Distillation Column (HIDiC) Original Research Article Pages 447-451 Lin Wang, Manabu Kano, Shinji Hasebe Modeling and Simulation of Gas Pipeline Network for Operational and Infrastructural Decisions Original Research Article Pages 453-458 Saulat Lone, Naveed Ramzan, Anwar Rashid Saleemi, Iftikhar A. Karimi Modeling of MSMPR crystallizer dynamics – time series prediction by neural network Original Research Article Pages 459-464 Krzysztof Piotrowski, Andrzej Matynia, Małgorzata Goźlińska Sensitivity study of a heat integrated FCC plant Original Research Article Pages 465-470 Mihaela Morar, Paul Serban Agachi A framework for optimal design of reactive distillation columns Original Research Article Pages 471-475 Rui M. Filipe, Henrique A. Matos, Augusto Q. Novais Event-Dynamic Assumptions in First-Principle Network Models and Model Reduction Original Research Article Pages 477-482 Heinz A Preisig Model-based Optimisation and Closed-loop Control of Crystal Shape in Cooling Crystallisation Original Research Article Pages 483-488 Jian Wan, Xue Z. Wang * , Cai Y. Ma Multi-scale evolution of optimal process designs for the production of acetic acid via ethane oxidation Original Research Article Pages 489-494 Daniel Montolio-Rodriguez, David Linke, Patrick Linke Multiscale Modelling Framework for Chemical Product-Process Design Original Research Article Pages 495-500 Ricardo Morales-Rodríguez, Rafiqul Gani System approach to modeling of pharmaceutical integrated processes: drying, layering and coating Original Research Article Pages 501-505 Natalia Menshutina, Mariya Gordienko, Yulia Makovskaya, Alia Kasimova, Alexei Voinovskiy Transport and reaction in reconstructed porous polyolefin particles Original Research Article Pages 507-512 Alexandr Zubov, Lucie Pechackova, Libor Seda, Juraj Kosek A New Parallel Tempering Algorithm for Global Optimization: Applications to Bioprocess Optimization Original Research Article Pages 513-518 Silvia Ochoa, Jens-Uwe Repke, Günter Wozny Anhydrous bioethanol production using bioglycerol – simulation of extractive distillation processes Original Research Article Pages 519-524 Marina O.S. Dias, Tassia L. Junqueira, Rubens Maciel Filho, Maria R.W. Maciel, Carlos Eduardo Vaz Rossell An Optimization Framework for Solving a Large Scale Scheduling Problem Original Research Article Pages 525-529 Toni Lastusilta, Oskar Frankenhaeuser, Frank Pettersson, Tapio Westerlund A Projection Approach for Optimization of Distributed Parameter Systems without Gradients Original Research Article Pages 531-536 Reinout Romijn, Wolfgang Marquardt An Evaluation of a Multi-method Tool for Real-Time Implementation of Two-layer Optimization Original Research Article Pages 537-541 Delba N.C. Melo, Adriano P. Mariano, Eduardo C. Vasco de Toledo, Caliane B.B. Costa, Rubens Maciel Filho Design and Control of New Intensified Distillation Systems for Quaternary Separations using Genetic Algorithms Original Research Article Pages 543-548 José Antonio Vázquez - Castillo, Josué Addiel Venegas - Sánchez, Juan Gabriel Segovia - Hernández, Salvador Hernández, Héctor Hernández, Claudia Gutiérrez - Antonio, Abel Briones - Ramírez Design of Reactive Distillation with Thermal Coupling for the Synthesis of Biodiesel using Genetic Algorithms Original Research Article Pages 549-554 Erick Yair Miranda-Galindo, Juan-Gabriel Segovia-Hernández, Salvador Hernandez, Guadalupe de la Rosa Álvarez, Claudia Gutiérrez-Antonio, Abel Briones-Ramírez Dividing wall distillation columns for separation of azeotropic mixtures: feasibility procedure and rigorous optimization Original Research Article Pages 555-560 Abel Briones-Ramírez, Claudia Gutiérrez-Antonio Environmental Design of IGCC through Pinch Analysis, Process Integration and Parameters Analysis Original Research Article Pages 561-566 M. Gadalla, F. Emun, T. Majozi, L. Jiménez Future potential for biomass use in blast furnace ironmaking Original Research Article Pages 567-571 Jarmo Söderman, Henrik Saxén, Frank Pettersson Global optimal synthesis of integrated hybrid desalination plants Original Research Article Pages 573-578 Marian G. Marcovecchio, Sergio F. Mussati, Nicolás J. Scenna, Pío A. Aguirre Implementation of a Convexification Technique for Signomial Functions Original Research Article Pages 579-583 Andreas Lundell, Tapio Westerlund Improving efficiency when solving process synthesis problems through translation of variables Original Research Article Pages 585-590 Marcel Ropotar, Zdravko Kravanja Increasing Throughput of Batch Distillation Original Research Article Pages 591-595 Zbigniew T. Fidkowski Model and Parameter Identification in Phase Equilibria Original Research Article Pages 597-601 Alexander Mitsos, George M. Bollas, Paul I. Barton The 19th European Symposium on Computer Aided Process Engineering contains papers presented at the 19th European Symposium of Computer Aided Process Engineering (ESCAPE 19) held in Cracow, Poland, June 14-17, 2009.

The ESCAPE series serves as a forum for scientists and engineers from academia and industry to discuss progress achieved in the area of CAPE.

* CD-ROM that accompanies the book contains all research papers and contributions
* International in scope with guest speeches and keynote talks from leaders in science and industry
* Presents papers covering the latest research, key top areas and developments in computer aided process engineering (CAPE) The 19th European Symposium on Computer Aided Process Engineering contains papers presented at the 19th European Symposium of Computer Aided Process Engineering (ESCAPE 19) held in Cracow, Poland, June 14-17, 2009. The ESCAPE series serves as a forum for scientists and engineers from academia and industry to discuss progress achieved in the area of CAPE. * CD-ROM that accompanies the book contains all research papers and contributions * International in scope with guest speeches and keynote talks from leaders in science and industry * Presents papers covering the latest research, key top areas and developments in computer aided process engineering (CAPE)