19 European Symposium on Computer Aided Process Engineering

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. Verderamea, Christodoulos A. Floudasb

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