COMPUTER-AIDED CHEMICAL ENGINEERING, 28
20m EUROPEAN
SYMPOSIUM ON
COMPUTER AIDED
PROCESS ENGINEERING
Edited by
S. Pierucci and G. Buzzi Ferraris
CMCI Polytechnico di Milano,
Milan, Italy
ELSEVIER
Amsterdam - Boston - Heidelberg - London - New York - Oxford
Paris - San Diego - San Francisco - Singapore - Sydney - Tokyo
Contents
Preface xxvii
International Scientific Committee xxix
Computer Aided Process IndustryIntegral Recovery of Bisphenol from Poly-bisphenol a Carbonate via HydrolysisGiu/ia Bozzano, Marin Dente and Renato Del Rosso 1
Separation ofButanol from Acetone-butanol-ethanol Fermentation by a Hybrid Extraction-
distillation Process
Korbiman Kraemer, Andreas Harwardt, Roberto Bronneberg and Wolfgang Marquardt 1
Effect of the Switch Strategy on the Performance and Stability of Reactor Networks for
Methanol SynthesisErasmo Mancusi, Pietro Ahimari, Silvestro Crescitelli and Lucia Rnsso 13
Effects of Fouling on Performance of Retrofitted Heat Exchanger Networks; a Therrno-
Hydraulic Based AnalysisFrancesco Colelti, Sandro Macchielto and Graham Polley 19
Modelling and Simulation of the Effect of Non-condensable Gases on Heat Transfer in
MSF Desalination Plants Using Gproms Software
Said Alforjani Said, Iqbal Mujlaba and Mansour Emtir 25
Multiphase Fluid Flow
Simulation of Free Surface Viscoelastic Fluid Flow Using the Viscoelasticinterfoam
Solver
Jovani Favero, Nilo Sergio M. Cardozo, Argimiro R. Seechi and Hrvoje Jasak 31
Shape Optimization of Microchannels Using CFD and Adjoint Method
Osamu Tonomura, Manabii Kano and Shinji Flasebe 37
Modeling and Simulation of Particle Size Distribution in Slurry-phase Olefin CatalyticPolymerization Industrial Loop Reactors
Vassilis Touloupides, Vassilis Kanellopoulos, Aposlolos Krallis, Prokopis Pladis and 43
Castas Kiparissides
Application of Different Turbulence Models to Study the Effect of Local Anisotropy for a
Non-premixed Piloted Methane Flame
Claudia Pfeiler and Harold Raupenstrauch 49
Mechanism of Drop Coalescence at the Interface ofTwo Immiscible Liquids
Giulia Bozzano and Mario Dente 55
Combining Statistical and Physical Considerations in Deriving Targeted Qsprs Using Very
Large Molecular Descriptor Databases
Inga Paster, Greta Tovarovski, Mordechai Shacham andNeima Braitner 61
Simulated Preparation of Supported Porous Catalyst and Evaluation of Its Reaction-
transport PropertiesVladimir Novak, Frantisek Stepanek, Petr Koci, Milos Marek and Milan Kitbicek 67
Fluid-dynamic Study ofMultiphase Flow in a Sieve Tray of a Distillation Column
Joel Gustavo Teleken, Leandro Osmar Werle, lacana George Berte Parisotto, Cintia 73
Marangoni, Ana Paula Meneguelo and Ricardo Antonio Francisco Machado
Robust Algorithms for the Calculation of Phase EquilibriumFrances Pereira, George Jackson, Amparo Galindo and Claire Adjiman 79
vi Contents
Prediction of Interracial Tension of Binary Mixtures
Oscar Gabriel Nino-Amezqiiita unciSabine Enders 85
Transport Phenomena Modeling During Drying of Shrinking Materials
Maria Averxa, Siefuno Cturio, Vincenza Calabro' and Gabriele lorio 91
Supply Chain
Capacity Planning and Financial Optimisation ofthe Bioethanol Supply Chain Under Price
UncertaintyMatteo Da! Mas, Sara Giarola, Andrea Zamhoni andFahrizio Bezzo 97
Integrating Pricing Policies in the Strategic Planning ofSupply Chains: a Case Study of the
Sugar Cane Industry in ArgentinaAudrey Kost'm, Gonzalo Guillen-Gosdlbez, Fernando Mele, Miguel Bagajewicz and 103
Laureano Jimenez
Green Supply Chain Design and Operation by Integrating Lea and Dynamic Simulation
Ei Sandi Nwe, AriefAdhitya, Islumdar Halim and Rajagopalan Srinivasan 109
Energy and Economic Assessment of Soda and Organosolv Biorefinery Processes
Araceli Garcia, Maria Gonzalez Alriols, Rotlrigo Llano-Ponle and Jalel Labidi I 15
Multi-objective Optimization of a Hydrogen Supply Chain for Vehicle Use IncludingEconomic and Financial Risk Metrics. A Case Study of Spain
Nagore Sabio, Mamdmth Gadatla, Laureano Jimenez and Gonzalo Guillen-Gosdlbez 121
Fuzzy Performance Indicators for Decision Making in Selection of Wastewater Treatment
Methods
Yitry Avramenko, Martin Kamarni and Andrzej Kraslawski 127
Simulation-optimization for Business Decision Support in a Global Specialty Chemicals
EnterpriseJia Hui Tan, AriefAdhitya and Rajagopalan Srinivasan 133
Generalized Classes for Lower Levels of Supply Chain Management: Object-orientedApproachFlavio Manenti, Nadson Murilo Naseimento Lima, Lamia Zimiga Lilian, Alberto Cuoci 139
and Alessio Frassoldati
Simulation-based Optimization Approach to Clinical Trial Supply Chain ManagementYe Chen, Linas Mockus, Seza Oram and Ginlaras Reklaitis 145
Risk Assessment
Risk Management in Production Planning Under Uncertainty by Multi-objective HybridEvolutionary AlgorithmsThomas Tometzki and Sebastian Engell 151
Risk Management Framework for the Petroleum Supply Chain
Lean Fernandes, Ana Paula Barhosa-Povoa andSusana Relvas 157
A New Scheme for Management of Change Support Based on I lazop LogTeiji Kilajima, Tetsuo Fuchino, Yukiyasu Shimada, Yuji Naka, Ling Yuan/in, Kensuke luchi 163
and Koji Kawamura
Fault Diagnosis in a Heat Exchanger Using Process History Based-methods
Juan C. Tudon-Martinez, Ruben Morales-Menendez and Luis Garza-Caslanon 169
Contents vii
Improving Process Safety ant! Product Quality Using Large Databases
Ankur Pariyuni, Warren Seider, Ulku Oktem andMasoud Soroush 175
A Knowledge-based Framework for Incident Management of Pharmaceutical Processes
Jytmpei Sugiura, Hirofumi Kawai, Yukiyasii Shimada, Telsuo Fuchino and Rafael Butres 181
A Quantitative Assessment of the Viareggio Railway Accident
Davide Manca, Sara Bramhilla and Roberto Tolaro 187
Input Reconstruction for Statistically Enhanced Fault Detection and Isolation
Udo Schubert, Uwe Kruger, Harvey Arellano-Garcia and Guenter Wuzny 193
The Estimation of Hazardous Gas Release Rate Using Optical Sensor and Neural Network
Won So, Jamin Koo, Dongil Shin and En Sup Yoon 199
Human Health
Validation of CFD Simulation Results in Case of Portal Vein Blood Flow
Claudiu Cristian Botar, Tudor Vasile, Si/viu Sfrangeu. S'unona Cliehici, Paul Serban 205
Agachi, Radu Badea, P. Mircea and Vasile Mircea Crimea
Particle Transfer and Deposition Using an Integrated CFD Model of the Respiratory
System
Aleck Alexopoulos, Paraskevi Karakoxta and Castas Kiparissides 211
Stochastic Optimal Control for the Treatment of a Pathogenic Disease
Vicente Rico-Ramirez, Fahricio Napoles-Rivera, Guillermo Gonzalez-Alatorrc and Urniila 217
Diwekar
Optimal Catheter Placement for ChemotherapyDongning Li, Oleksandr Ivanchenko, Nikhil Sindhwani, Eric Lueshen and Andreas 223
Linninger
Estimation of Seasonal Transmission Parameters in Childhood Infectious Disease Using a
Stochastic Continuous Time Model
Daniel Word, James K. Young, Derek Cummings and Carl Laird 229
Computer Aided Biology & Food ProcessingOptimization of Cultivation Conditions in Spin Tubes for CHO Cells ProducingErythropoietinJure Slrnad, Maljaz Brine, Vatroslav Spudic, Nadja Jelnikar, Lidija Mimik, Barbara 235
Carman andZdravko Kravanja
A Systematic Synthesis and Design Methodology to Achieve Process Intensification in
(bio)chemical Processes
Philip Lulze, Alicia Roman-Martinez, John M. Woodley and Rajiqul Gani 241
Multivariate Statistical Monitoring of Wine Ageing Processes
Ana Pereira, Marco Reis, Pedro Saruiva and Jose Marques 247
Designing Eco-elTicienl Biodiesel Production Processes from Waste Vegetable Oil
Sergio Morals, Sandra Conto, Antonio Martins and Teresa Mala 253
Rate-based Modeling Approach and Simulation for Molecular Distillation ofGreen Coffee
Oil
Melvin Duran, Rubens Made! Filho and Maria Regina Wolf'Made/ 259
A Reduced Model for the Freezing Step in Ice Cream Manufacture
Bagdan Dorneanu, Cos/in Sarin Bildea, Johan Grievink and Peter Bangers 265
viii Contents
Computer-aided Lipid Design: Phase Equilibrium Modeling for Product DesignMoises Teles clox Santos, Gala Le Roux and Vincent Gerbaucl 271
Experimental Investigation and Mathematical Modelling of Water Absorption in Air-dried
Chestnuts
Pietro Altimari, G'mseppina Adiietta, Donatella Albanese, Silvestro Crescitelli and Marisa 277Di Matteo
Screen Printed Biosensors for Detection ofNitrates in Drinking Water
Donatella Albanese, Marisa Di Matteo andAlessio Crescitelli 283
Control System Development lor Integrated Bioreactor and Membrane Separation Process
Oscar Andres Prado-Rubio, Sten Bay Jorgensen and Gunnar Jonsson 289
Modeling and Optimization of Biological Sequential Batch Reactors
Mauren Fuentes, Miguel C. Mussali, Nicolas J. Scenna and Pio Antonio Aguirre 295
Combining Genetic Circuit and Microbial Growth Kinetic Models: a Challenge for
Biological ModellingMicha/is Kantinas, Alexandras Kiparissides. Ming-Chi Lam, Rafael Silva-Rocha, Victor 301
De Lorenzo, Vitor Martins Dos Santos, Efstratios N. Pistikopoulos and Athanasios
Mantalaris
Modeling Heterogeneous Virus Infectiosity for Cells in Bioreactors for Vaccine
Production
Juan Guillenno Diaz Ochoa, Stefanie Ka/weit, Andreas Voigt and Kai Sundmaeher 307
Self-organizing Maps and Learning Vector Quantization Networks as Tools to IdentifyVegetable Oils and Delect Adulterations of Extra Virgin Olive Oil
Jose Torreei/la, Ester Rojo, Mercedes Oliet, Juan Dominguez and Rodriguez Francisco 3 13
Systematic Model Analysis for Single Cell Protein (SCP) Production in a U-loop Reactor
Oscar Andres Prado-Rubio, John Baglerp Jorgensen and Sten Bay Jorgensen 3 19
Aglianico Wine Dealcoholization Tests
Loredana Liguori, Gerardina Attanasio, Donatella Albanese andMarisa Di Matteo 325
Competition of Two Microbial Species in a Turbidostat
Andrea Cammarota and Michele Miccio 33 I
Numerical Procedures
A Combination of Parallel Computing and Object-oriented Programming to ImproveOptimizer Robustness and EfficiencyGuido Buzzi-Ferraris and Flavio Manenti 337
Polyhedral Results for Discrete-time Production Planning Mip Formulations
Christos T. Maravelias and Konstantinos Papalamprou 343
A Dynamic Screening Algorithm for Multiple Objective Simulated AnnealingOptimizationEflychia Marcaulaki and loannis Papazoglou 349
Parameter Estimation in Kinetic Models for Large Scale Metabolic Networks with
Advanced Mathematical Programming TechniquesJimena Di Maggio, Juan Diaz Ricci and M, Soledad Diaz 355
A Decomposition Approach for Parameter Estimation of System of Ordinary Differential
EquationsVivekDua 361
Parameter Estimation Using Multi-wavelets
Heinz Preisig 367
Contents IX
Adaptive Data Reconciliation Coupling C++ and Pro/ii and Online Application by the
Field
Flavio Manenti, Stefano Signer, Maria Grazia Grottoli and Paolo Fabbri 373
A Computer-aided Framework for Regression and Multi-scale-modelling Needs in
Innovative Product-process EngineeringMartina Heitzig, Gurkan Sin, Peter Glarborg andRafiqul Guni 379
Structural Decomposition of Process Models Described by Higher Index DAE SystemsAdrien Leitold and Miklos Gerzson 385
Speeding Up a Multiobjective Genetic Algorithm with Constraints Through Artificial
Neuronal Networks
Claudia Gutierrez-Antonio and Abel Brumes-Ramirez 391
Constraint Satisfaction Problem for Case Based Reasoning Adaptation: Application in
Process DesignEduardo Roldan, Slephane Negny, Jean Marc Le Lann and Guillermo Cortes 397
Performance Monitoring ofan Industrial Boiler: Classification of Relevant Variables with
Random Forests
Mallhieu Sainlez and Georges Heyen 403
An Off-line Model Reduction-based Technique for On-line Linear Mpc Applications for
Nonlinear Large Scale Distributed SystemsWeiguo Xie and Constanlinos Theodoropoulos 409
Integrated Approach for Enhanced Teaching and Learning Towards Richer Problem
Solving ExperienceSonia Zheleva and Toshko Zhelev 415
Dynamics & Control
Accurate and Efficient Solution of Distributed Dynamical System Models
Andrea Bahano, Stefania Tronci and Roberto Baratti 421
Discretize-then-relax Approach for State Relaxactions in Global Dynamic OptimizationAli M. Sahlodin and Benoit Chaehuat 427
Development and Validation of a Dynamic Model for Regeneration of Passivating Baths
Using Membrane Contactors
Eugenia Bringas, Rosa Mecliavilia, Ana Maria Urtiaga andlnmaeulada Ortiz 433
Cell-based Dynamic Meat Exchanger Models - Direct Determination of the Cell Number
and Size
Petar Sabev Varbanov, Jiri Klemes and Ferenc Friedler 439
Modelling and Control ofa Three-phase Catalytic Slurry Intensified Continuous Reactor
Sami Bahroun, Shi Li, Christian Jallut, Claire Valentin and Fabriee De Panlhou 445
Practical Aspects of Dynamic Simulation in Plant EngineeringGabriele Engl, Andreas Kroener and Martin Pottmann 451
Multicriteria Dynamic Optimization of an Emulsion Copolymerization Reactor
Brahim Benyahia, Abderrazak Latifi, Christian Fonteix and Femand Phi 457
State Variable Reconstruction from a Reduced set of Measurements
Erik Cesar Herrera-Hernandez and Ramiro Rico-Martinez 463
Dynamic Optimization of an Intensive Energetically Integrated Large-scale Process
Mariela Rodriguez, J.lgnacio Laiglecia, Patricia Hoch and M. SoledadDiaz 469
X Contents
Effective Decomposition Method for Scheduling Multistage Batch Plants SchedulingPedro Castro, lira Harjunkoski and Ignacio Grossmann 475
A Toolkit for Efficiently Generating Pareto Sets in (bio)chemical Multi-objective OptimalControl Problems
Filip Logist. Boris Houska, Morilz Diehl and .lent Van Impe 481
Model Reduction as a Tool for Robust Predictive Control: Application to OprEstefania Lopez-Quiroga, Luis T. Antelo and Antonio A. Atonso 487
Stable Model Predictive Control Tuning Considering Asymmetric Bounded Signals
Mario Francisco, pieman Alvarez, Pastora Vega and Silvana Revollar 493
Plant-wide Control for Economic Operation ofa Recycle Process
Rahul Jaglap. Nitin Kaistha and Sigurd Skogestad 499
Optimal Process Control and Operation of an Industrial Heat Integrated Fluid CatalyticCracking Plant Using Model Predictive Control
Mihaela Icmai and Paul Serban Agachi 505
Advanced Control Strategies for Dividing-wall Columns
Anton Alexantlnt Kiss and Ruben C. Van Diggelen 511
Modelling and Explicit Mpc of Pern Fuel Cell SystemsChristos Panos, Konstantinos Kouramas, Michael Georgiadis, Nigel Brandon and 517
EJstratios N. Pistikopoulos
"MEGA"-variatc Statistical Process Control in Electronic Devices AssemblingMarco Reis and Pedro Delgado 523
Influences of the Moving Window Parameters on a Posteriori Standard Deviations of
Estimated Variables in Dynamic Data Reconciliation
Christaphe Ullrich, Carine Gerkens and Georges Pleven 529
Plantwide Control ofa Biodiesel Process by Reactive Absorption
Costin Sarin Bildea and Anton Aiexandru Kiss 535
Benchmark for Hierarchical Plantwide Control of Hybrid Chemical Processes: Control of
Coupled Batch and Continuous Reactors
Harvey Aretlano-Garcia, Stephanie Geist, Guenter Wozny and Joerg Raisch 541
Resilient Control in View ofValve Sticlion: Extension of a Kalman-based Ftc Scheme
Kris Villez, Babji Srinivasan, Raghunathan Rengaswamy, Shankar Narasimhcm and 547
Venkat Venkatasuhramaiuan
A Reduced Linear Model Predictive Control Algorithm for Nonlinear Distributed
Parameter Systemsloannis Bonis and Constantinos Theodoropoulos 553
Application ofNon-linear Dynamic Optimization in Advanced Process Control of
Product Grade Transitions of Polymerization Processes
Laszlo Dobos andJanos Ahonyi 559
A Reactive Distillation Case Study for Decentralized Control System Design Using Mixed
Integer OptimizationGanesh Paramasivan andAchim Kienle 565
Type-2 Fuzzy Control of a Fed-batch Fermentation Reactor
Mose Galluzzo and Bartaiomeo Cosenza 571
Contents xi
Dynamic Process Optimisation in Free-radical Multicomponent Polymerisation; ButylMethacrylate and Butyl Acrylate Case StudyBruno Amaro, Charles Iinmanuel, Efitratios N. Pistikopoulos, Andreas Daiss, Floricm 577
Becker, Klaus-Dieter Hungenberg and Pedro Saraiva
Dynamics of Knowledge Flow in Research on Distillation
Robert Sitarz, Andrzej Krasiawski andJaeek Jezowski 583
Towards Energy-based Dynamic Optimisation of Monoclonal Antibody Producing Gs-nsO
Cultures
Alexandres Kiparissides, Efstratios N. Pistikopoulos and Atluinasios Mantalaris 589
A Nonlinear Approach to the Design of Gain-scheduled Controllers
Pietro Altimari, Erasmo Mancusi, Lucia Russo andSilvestro Crescitelli 595
Arx-model Based Model Predictive Control with Offset-free TrackingJakob KjobstedHuiisom, Niels Kjolstad Paulsen, Sten Bay Jorgensen and John Bagterp 601
Jorgensen
Simultaneous State Estimation and Model Predictive Control by Multi-parametricProgrammingAnna Voelker, Konstantinos Konramas andEfstratios N. Pistikopoulos 607
Control of Process Operations and Monitoring of Product Qualities Through Generic
Model-based in Batch Cooling CrystallizationNoor Asma Fazli Abdul Samad, Ravendra Singh, Gurkan Sin. Krist V. Gemaey and 613
Rqfiqul Gam
A Simple Approach for On-line Pi Controller Tuning Using Closed-loop Sctpoinl
ResponsesMohammad Shamsuzzoha, SigurdSkogestad and Ivor J Halvorsen 619
Multi-scale Modelling and Coarse-grained Analysis ofTriglycerides DynamicsAntonio Brasiello. Lucia Russo, Constantinos Siettos, Giuseppe Milano and Silvestro 625
Cresci/elli
Pod Reduced Order Dynamical Model ofNon-isothermal Circulating Fluidized Bed
Combustor
Katarzyna Bizon and Gaetano Continillo 631
Modelling & Simulation
Hybrid Simulation-optimization Algorithms for Distillation DesignJose Antonio Caballero andIgnacio Grossmann 637
Numerical Determination ofDistillation Boundaries for Multicomponent Homogeneousand Heterogeneous Azeotropic SystemsJuan A. Reyes-Laharta, Jose Antonio Caballero andAntonio Marcilla 643
Modelling of Direct Contact Membrane Distillation for Desalination
Edward Close and Eva Sorensen 649
Dividing Wall Column Application for Platformate Splitter - a Case StudyIgor Dejanovic, Ljubica Matijasevic and Zarko Olujie 655
Non-linear Model Approximation Using New Multivariate Hammcrstcin Block Structure
Model for Large Processes
Omar Naeem and Adrie Huesman 661
Process Simulation as a Domain-specific OPC Unified Architecture Information Model
Paolo Greppi 667
xii Contents
A New Modeling Environment Based on Internet-standards Xml and Matliml
Stefan Kimtsche, Haivey Arellcmo-Carcia and Guenler Wozny 673
Solving Cape Models i'rom Microsoft Office ApplicationsKarim A//ou!a, Jean-Pierre Belaudand.Jean Mare Le Lann 679
Computer-aided Web-based Application to Modular Plant DesignLukasz Hady and Guenler Wozny 685
Simulation of a Structured Catalytic Reactor for Exothermic Metlianation Reactions
Producing Synthetic Natural Gas
Maria Sudiro, Alberto Bertitcco, Giampiero Groppi and Enrico Trunconi 691
Mathematical Modeling and Simulation of Gasification Processes with Carbon Captureand Storage (CCS) for Energy Vectors Poly-generationVictoria Maxim, Ca/in-Cristian Carinas, Ana-Maria Carinas and Paul Serban Agaehi 697
Modular Simulation of a 12mw Industrial Gasifier
Xavier Joutia, Pascal Floquet, R. Sardeing, O. Baudoin, M. Vieville and V. Brousse 703
Towards Integrated Product and Process Design for Biofuels
Anna Vol/, Manuel Hechinger and Wolfgang Marquardt 709
Modelling of the Solar Sludge Drying Process Solia
Nicolas Roux, Daniel Jung, Jerome Pcmncjon and Cyrilte Lemoine 715
Modeling and Experimental Validation of a Pern Fuel Cell SystemChrisovalanlou Ziogou, Spyros Vontetakis, Simira Papadopoulou and Michael Georgiadis 721
Inventory Management Milp Modelling for Tank Farm SystemsSusana Relvas, Ana Paula Barhosa-Povoa and Henrique Matas 727
Simulation of Ethanol Production from Sugarcane in Brazil: Economic Study ofan
Autonomous DistilleryMarina Oliveira Sauza Dias, Marcela Pereira Cunha, Charles Dayan Farias De Jesus, 733
Mima Ivonne Gaya Scandiffio, Carlos Eduardo Vaz Rosse/I, Rubens Maciel Filho and
Antonio Bonomi
A Hybrid Neural Approach to Model Batch Fermentation of Dairy Industry Wastes
Alessandra Saraceno, Sascha Sansonelti, Stefano Curcio, Vincenza Calabro' and Gahriele 739
lorio
Numerical Solution of Batch Crystallization Models
Shamsul Qamar and Andreas Seidel-Morgenstem 745
Optimal Control Solutions for Crystal Shape ManipulationNairn Bajcinca, Vinicius De Oliveira, Christian Borchert, Joerg Raisch andKai 751
Simdmacher
Cals-model of Innovative Technology for Plasmachemical Synthesis of NanopowdersArkadiy Bessarabov, Alexey Kvasyuk, Mark lvanov and Natalia Menshutina 757
Simulation and Experimental Evaluation of Seed and Supersaturation Control DesignApproaches for Crystallisation Processes
Eriini Aamir, Zoltan Nagy and Chris Rielly 763
Development of a Global Mathematical Model for Reactive Extrusion Processes in
Corotaling Twin-screw Extruders
Marie-Amelie De Ville D Avray, Arsene Isambert andStephane Brochot 769
A Mathematical Model of a Fluidized Bed Combustor Coupled with a Stirling EngineFrancesco Miccio 775
Contents xiii
Oxidative Coupling of Methane: Reactor Performance and Operating Conditions
Stanislav Jaso, Hamid Godini, Harvey Arellano -Garcia and Gaenter Wozny 781
Ultrafiltration of Surfactant Micelles: Cross-flow Experiments and Flux ModellingAnja Drews, Harvey Arellano-Garcia, Reinhard Schomaecker, Matthias Kraume and 787
Gnenter Wozny
Modelling and Simulation of Extensional-flow Units in Emulsion Formation
Cristhian Almeida-Rivera and Peter Bangers 793
Simulation ofCommercial Dimethyl Ether Production Plant
Ik Hyun Kim, Won Joon Clio and En Sup Yoon 799
On the Prediction and Shaping of the Psd in Crystallizations OperationsMassimiliano Grosso, Omar Gatan, Roberto Baratti and Jose Romagnoli 805
Systematic Approach Towards Inspecting Equipment Defects in Chemical Plants
Seunghyok Kim, Young Han Kim, Won So, Ik Hyun Kim and En Sup Yoon 8 1 I
Ab Initio Crystal Structure Prediction for Flexible Molecules
Andrei Kazantsev, Panagiotis Karamertzanis, Constantinos Panlelides and Claire Adjiman 817
Pyrolysis of Naphtha Feedstocks: Automatic Generation ofDetailed Kinetics and LumpingProcedures
Mario Dentc, Eliseo Ranzi, Giulia Bozzano, Saitro Picrucci, Florian 1. Kleinendorst and 823
Marco van Goethem
Detailed Kinetics in the Mathematical Model of Fixed Bed Gasifiers
R. Grana, S. Sommariva, T. Maffei, Alberto Cnoci, T. Faravelli, Alessio Frassotdati, Saitro 829
Pierucci and Eliseo Ranzi
Physical Properties Prediction oflndium Based Solid Solution by Artificial IntelligenceTechniquesLiliana Bizo and Catin Anghel 835
Process OptimizationDevelopment of Decision Support System Through Multi-objective Optimization in Ill-
posed Environment
Yoshiaki Shimizu, Yasumusa Kalo and Takeshi Kariyahara 841
Global Optimization and Parametric Analysis of Large-scale Extended Pooling Problems
Ruth Misener, Chrysanthos E. Gounaris and Christodoulos Floudas 847
Biobjective Optimization Using Environmental and Economic Functions in Utility Plants
Pablo Enrique Martinez and Ana Maria Eliceche 853
Multiobjective Optimization oflndustrial Water Networks with Contaminants
Marianne Boi.x, Ludovic Montastruc, Luc Piboiileau, Catherine Azzaro-Pante! and Serge 859
Domenech
Broke Management Optimization in Design of Paper Production SystemsAino Ropponen, Risto Ritala and Efstratios N. Pistikapoulos 865
Recycle and Reuse Mass Exchanger Networks Based on Properties Using a Global
Optimization TechniqueFabricio Napoles-Rivera, Arturo Jimenez-Gutierrez, Jose Maria Ponce-Ortega and 871
Mahmoud El-Hahvagi
xiv Contents
Energy Management for Heat Intensive Production Plants Using Mixed Integer
Optimization
Steflen Summer, Jens Boehm and Achim Kienle 877
A Novel Optimization Method to Automated Wet-etch Station Scheduling in
Semiconductor Manufacturing SystemsAdrian Aguirre and Carlos Mendez 883
Hybrid Compressor Model for Optimal Operation of Cda SystemKiwook Song. Changhyun Jeong and Chonghun Htm 889
Simulation and Optimization ofFull Scale Reverse Osmosis Desalination Plant
Kama/ Sassi and Iqhal Mujtaba 895
Strategies for the Global Optimization of Integrated Process Water Networks
Elvis Ahmetovic and Ignacio Grossmann 901
On the Systematic Design and Optimization Under Uncertainty ofa Hybrid Power
Generation System Using Renewable Energy Sources and Hydrogen StorageGaryjallos Giannakoudis, Athanasios Papadopoulos, Panos Seferlis and Spyros Vouletakis 907
Optimization ofOverall Network of Water-using and Treatment Units
Raluca Tudor and Vasile Lavric 913
Multiobjeclivc Optimization with Economic and Environmental Objective Functions
Using Modified Simulated AnnealingFlorinda Martins and Carlos A. V. Costa 919
Run-to-run Convergence Analysis of Model-based Policy Iteration Algorithms for
Experimental Optimization ofBatch Processes
Mariano Cristaldi, Smaranda Cristea and Ernesto Martinez 925
Energy Optimization in the Process Industry: Unit Commitment at Systems Level
Edwin Zondervan, Ignacio Gross-inarm andAndre De Iloan 93 I
Fuzzy-like Optimization Approach for Design and Scheduling of Multipurpose Non-
periodic Facilities
Tdnia Pinto-Varela, Ana Paula Barbosa-Povoa andAugusta Novais 937
Superstructure Optimization of Lignoeellulosic Bioethanol Plants
Mariano Martin and Ignacio Grossmann 943
A Model for the Multi-objective Optimisation of a Polymer Electrolyte Fuel Cell Micro-
combined Heat and Power SystemSheila Aug. Daniel Brett and Eric Fraga 949
Design, Simulation and Optimization of Polymerization Processes Using Advanced OpenArchitecture Software Tools
Apostolos Krallis, Prokopis Pladis, Vassilis Kartellopaulos, Vassiiis Saliakas, Vassilis 955
Toulonpides and Castas Kiparissides
Optimisation of Heterogeneous Batch Extractive Distillation
Alien Arias Barreto, Ivonne Rodriguez-Donis, Vincent Gerbaud andXavier Jotilia 961
Energy Efficiency Optimization of Wastewater Treatment - Study of ATADJaime Rajas, Toshko Zhelev and Mnises Graeils 967
Computer Aided Environment
On the Prediction of Properties for Diesel / Biodiesel Mixtures Featuring NewEnvironmental Considerations
Konstantinos Kalogeras, S/ella Bezergianni, Vasiliki Kazantzi andPetros Pilavachi 973
Contents xv
Factors Affecting the Acid Pretreatment of Lignocellulosic Biomass: Batch and
Continuous Process
Teresa Lopez-Arenas, Pimit Rathi, Edgar Ramirez-Jimenez and Mauricio Sales-Cruz 979
Simulation and Control of Pollutant Propagation in Somes River Using Comsol
MultiphysicsVasile Mircea Cristea, Elena Diana Bagiu and Paul Serhan Agachi 985
Clean Coal: a New Power Generation Process with High Efficiency, Carbon Capture and
Zero Emissions.
Thomas Adams and Paid I. Barton 991
Exergocconomic Analysis of Post-combustion C02 Capture Processes
Marc-Oliver Sehaeh, Rudiger Schneider, Homing Schramm andJens-Vwe Repke 997
Intensification of Sulfur Dioxide Absorption Process: Environmental and Economic
Optimization
Patricia Luis, Aurora Garea andAngel Irahien 1003
Integrated Framework for Enterprise Management—a Synergistic Approach Towards
Sustainable Biorefineries
Paritosh Sharma, B.R. Sarker andJose Romagnoli 1009
Permeable Reactive Barrier for Groundwater PCE Remediation: the Case Study of a Solid
Waste Landfill Pollution
Armando Di Nardo, Michele Di Natale, Alessandro Erto, Dino Musmarra andlmma 1015
Bortone
Hybrid Semi-parametric Modeling of Biological Systems: Application to SpectroscopicData for the Estimation of Concentrations
Moritz von Stosch, Riti Oliveira, Joana Peres and Sehasliao Feyo De Azevedo 1021
Real-time Inversion and Response Planning in Large-scale Networks
Angelica Wong, Sean McKenna, William Hart and Carl Laird 1027
Multi-objective Optimization of Solar Assisted Absorption Cooling System
Berhane H. Gehreslassie, Me/anie Jimenez, Gonzalo Guillen-Gosdlbez, Laweano Jimenez 1033
and Dieter Boer
The Effects of Vehicle-to-grid Systems on Wind Power Integration in California
Bri-Mathias Hodge, Shisheng Huang, A. Shukla, Joseph Pekny and Gintaras Rek/aitis 1039
Incorporating Negative Values in Ahp Using Rule-based Scoring Methodology for
Ranking of Sustainable Chemical Process Design OptionsMohamad Rizza Othmati, Jens-Uwe Repke and Guenter Wozny 1045
Integration ofCape and Lea Tools in Environmentally-conscious Process Design: a Case
Study on Biomass-derived Resin
Yasunori Kikuchi, Masahiko Plirao and Kazuya Mayumi 105 1
Energy Integration Issues for Hydrogen and Electricity Co-production Based on
Gasification Process with Carbon Capture and Storage (CCS)Calin-Cristian Cormos and Paul Serhan Agachi 1057
Life Cycle Assessment of a High Temperature Molten Salt Concentrated Solar Power
Plant
Vincenzo Piemonte, Marcello De Falco, Pietro Tarquini and Alberto Giaconia 1063
Sustainable Design ofDifferent Seawater Reverse Osmosis Desalination Pretreatment
Processes
Matarl Beery, Guenter Wozny andJens-Uwe Repke 1069
xvi Contents
An Optimisation-based Approach for Integrated Water Resources ManagementSongsong Liu, Petros Gikas and Lazaros Papageorgiou 1075
The Value of Battery Storage and Discharge Logic with Solar MicrogenerationShisheng Huang, Bri-Mathias Hodge, Joseph Pekny and G'mtaras Reklaitis 1 OH 1
An Efficient and Faster General Optimization Model for a Sustainable Recovery Network
of Industrial Polluted Wastes
Joaquim Duque, Ana Paula Barbosa-Povoa andAugusta Novais 1087
Parametric Programming Technique for Global Optimization of Wastewater Treatment
SystemsJoan Teles, Pedro Castro and Henrique Mates 1093
Synthesis & IntegrationSystematic Approach for Synthesis of Intensified Biodiesel Production Processes
Lene Fjerbaek Soloft, Ben-Guang Rang, Knud V. Christemen and Birgir Norddahl 1099
A Systems Platform for Optimal Synthesis of Biomass Based Manufacturing SystemsAntonis Kokossis, Aidong Yang, MarineUa Tsakalova and Ta-Chen Lin 1105
Heat-integrated Process for Biodiesel by Reactive AbsorptionAnton Alexandru Kiss 1111
Robust Thermodynamically-guided Algorithms for Synthesis of Energy Efficient
Separation Networks
Gerardo Ruiz, Sean Kim, Daniel A. Beneke andAndreas Linninger 1117
Process Synthesis Under Uncertainty via Multiparametric ProgrammingLuis Dominguez and Efstratios N. Pistikapoulos 1123
Surrogate-based Process SynthesisCarlos Henao and Christos T. Maravelias I 129
Total Cost Targeting for Heat Exchanger Networks Including Pumping Costs
Medardo Serna-Gonzalez, Jose Maria Ponce-Ortega and Oscar Burgara-Montero 1135
Energy Integration of Industrial Sites with Heat Exchange Restrictions
Helen Becker, Luc Girardin and Francois Marechal 1141
Synthesis, Design and Analysis of Downstream Separation in Bio-refinery Processes
Through a Group-contribution ApproachMerlin Alvarado-Morales, Krist V. Gernaey, John M. Woodley and Rafiqul Gani 1147
Scheduling & Decision Control
Optimal Production Scheduling and Lot-sizing in Yoghurt Production Lines
Georgios Kopanos, Luis Puigjaner and Michael Georgiadis 1153
Refining Scheduling ofCrude Oil Unloading, Storing, and Processing ConsideringProduction Level Cost
Greg Robertson, Ahmet Palazoglu and Jose Romagnoli 1159
An Application of a Cocitation-analysis Method to Find Further Research Possibilities on
the Area of Scheduling Problems
Tibor Kocsis, Stephane Negny, Pascal Flaquet, Xuan Michael Meyer andEndre Rev 1165
Rolling-horizon Algorithm for Scheduling Under Time-dependent Utility Pricing and
AvailabilityPedro Castro, lira Harjunkoski and Ignacio Grossmann 1171
Contents xvii
Operation Scheduling of Batch Autothermal Thermophilic Aerobic Digestion Processes
Elisabeth Capon-Garcia, Jaime Rojas, Toshko Zhelev and Moises Give/Is 1177
Integrated Campaign Planning and Resource Allocation in Batch Plants
Naresh Susarlu andI. A. Karimi 1183
Order Acceptance for Revenue Management and Capacity Allocation in Make-to-order
Batch Plants
Ernesto Martinez and Facundo Arredundo 1 189
Scheduling and Control Decision-making Under an Integrated Information Environment
Elisabeth Capon-Garcia, Edrisi Munoz, Marta Moreno-Benito, Antonio Espuna and Luis I 195
Puigjcmer
Short-term Scheduling ofMulti-product Batch Plants with Sequence-dependentChangeovers Using Timed Automata Models
Subanatarajan Subbiuh andSebastian Engell I 201
A Decomposition Approach for the Operational Scheduling of a Multiproduct PipelineStielen Neves Boschetto, Sasana Relvas, Ana Paula Barbosa-Povoa and Fldvio Neves-Jr 1207
The Retrofit ofa Closed-loop Distribution Network: the Case ofLead Batteries
Ana Serra Fernandes, Maria Isabel Gomes-Salema and Ana Paula Barbosa-Povoa 1213
Decentralized Vs. Centralized Management ofAbnormal Situations in a Multi-plantEnterprise Using an Agent-based ApproachBehiad Behdani, Lukszo Zojia, Ariej Adhitya and Rajagopalan Srinivasan 1219
A Rigorous Comparative Study of Temporal Versus Spatial Lagrangean Decomposition in
Production Planning Problems
Ssbastian Terrazus-Moreno, Ignaeio Grossmann and Phillpp Trotter 1225
Process DesignIntegrated Solvent and Process Design for the Reactive Separation ofC02 from Flue Gas
Niall Mae Dowe/I, Amparo Galindo, George Jackson and Claire Adjimcm 1231
Optimization Based Conceptual Design of Reactive Distillation for Selectivity Engineering
Vinay Amte, Sriharsha Nistala, Sanjay Mahajani and Ran/an Malik 1237
Optimization-based Design of Reactive Distillation Columns Using a Memetic AlgorithmMaren Urselmann and Sebastian Engell 1243
Eco-efficiency Analysis for Chemical Process DesignOuattara Adama, Catherine Azzaro-Pantel, Luc Pibouleau, Serge Domenech. Philippe 1249
Baudet and Benjamin Yao
Optimal Design ofCombincd Lng/lpg Regasification SystemHosoo Kim, Ik Hyun Kim and En Sup Yoon 1255
Global Optimal Design of Mechanical Vapor Compression (mvc) Desalination Processes
Marian G. Marcovecchio, Pio Antonio Aguirre, Nicolas J. Scenna and Sergio F. Mussati 1261
Molecular Signature Descriptors for Integrated Flowsheet and Molecular DesignNishanth Chemmangattavalappil, Charles Solvason, Susi/pa Bommareddy and Mario 1267
Eden
Micro Reactor Design for Distributed Fuel Generation
Padraig Mae Surbine, Toshko Zhelev, ErzengXue and Reg Mann 1273
xviii Contents
Integration of Design and Control for a Large Scale Flowsheet
Seon Kim and Andreas Linninger 1279
Multi-scale Chemical Product Design Using the Reverse Problem Formulation
Charles Solvason, Nitshanth Chemmangattuvalappil and Mario Eden 1285
Solvent Design on a Menschutkin Reaction by Using Camd and Dft Calculations
Heiko Strnebing, Panagiotis Karamertzanis, Efotratios N. Pistikopoulos, Amparo Galindo 1291
and Claire Adjiman
The Virtual Product-process Design Laboratory Applied to Personal Care Formulations
Elisa Conie, Raflqul Gani and Tahir I. Malik 1297
Systematic Analysts and Design ofthe Poly-production Process for Power and Olefin from
Natural Gas
Yu Qian, Xiuxi Li, Zhixian Huang and Yitn Chen 1303
Multi-objective Design for the Consequential Life Cycle Assessment of Corn-ethanol
Production
Arinala Ahiola, Eric Fraga and Paola l.etiieri 1309
A Meta-heuristics Approach for the Design and Scheduling of Multipurpose Batch Plants
Nelson Chiheles-Martins, Tdnia Pinto- Vareta, Ana Paula Barhosa-Povoa andAugusta 1315
Novate
Personal Micro-blogging for Workflow Support in Conceptual DesignMichael Wiedait, Frank Alsnwyer, Andreas Harwanlt and Wolfgang Marquardt 1321
Computer Aided Design of Plate Heat ExchangersOlga Arsenyeva, Leonid Tovazhnyansky, Petro Kapustenko and Gena Khavin 1327
Author Index 1333
