COMPUTER-AIDED CHEMICAL ENGINEERING, 33

24111 EUROPEAN

SYMPOSIUM ON

COMPUTER AIDED

PROCESS ENGINEERING

PART - A

Edited by

Jin Jaromir Klemes

University of Pannonia, HU

Petar Sabev Varbanov

University of Pannonia, HU

Peng Yen Liew

University of Pannonia, HU

Contents

Preface xxxi

International Scientific Committee xxxiii

Local Organising Committee xxxv

Synthesis and Design

Financial Risk Analysis in the Synthesis and Design of Processing Networks:

Balancing Risk and Return

Alberto Quaglia, Gtirkan Sin, Rqfiqul Gani 1

De Novo Molecular Design using a Graph-Based Genetic Algorithm Approach

Robert H. Herring III, Mario R. Eden 7

Assessment of Solvent Degradation within a Global Process Model

of Post-Combustion C02 Capture

Gregoire Leonard, Dominique Toye, Georges Heyen 13

A Cyclin Distributed Cell Cycle Model in GS-NSO

David G. Garcia Miinzer, Margaritis Kostoglou, Michael C. Georgiadis,

Efstratios N. Pistikopoulos, Athanasios Mantalaris 19

The Good, the Bad, and Your Real Choices - Decision Support for Energy SystemsSynthesis through Near-Optimal Solutions Analysis

Philip Voll, Mark Jennings, Maike Hennen, Nilay Shah, Andre Bardow 25

Achieving More Sustainable Designs through a Process Synthesis-IntensificationFramework

Deenesh K. Babi, John M. Woodley, Rqfiqul Gani 31

Superstructure Development and Optimization under Uncertainty for Design and

Retrofit of Municipal Wastewater Treatment Plants

Hande Bozkurt, Alberto Quaglia, Krist V. Gernaey, Giirkan Sin 37

Scale-up and Techno-economical Study for the Production of Polyesters from GlycerolLaura Bueno, Claudio A. Toro, Mariano Martin 43

Uncertainty Analysis in Raw Material and Utility Cost of Biorefinery Synthesisand DesignPeam Cheali, Alberto Quaglia, Krist V. Gernaey, Giirkan Sin 49

Rigorous Optimization-based Synthesis of Distillation Cascades without Integer

Variables

Alexander W. Dowling, Lorenz T. Biegler 55

vi Contents

The Virtual Product-Process Design Laboratory for Structured Chemical

Product Design And AnalysisMichele Mattel, Nor A. Yunus, Sawitree Kalakul, Georgios M. Kontogeorgis,John M. Woodley, Krist V. Gernaey, Raflqul Gani 61

Physically-based Thermodynamic Models in Integrated Process and Molecular DesignMarina Stavrou, Matthias Lampe, Andre Bardow, Joachim Gross 67

Synthesis and Design of Interplant Water Networks using Direct RecyclingTechniques within Industrial Cities

Sabla Y. Alnouri, Patrick Linke, Mahmoud M. El-Halwagi 73

Reliability Integration to Process Synthesis applied to GTL Processes

Herib Blanco, Johan Grievink, Nort Thijssen, Paulien Herder 79

Integrating Glycerol to Methanol vs. Glycerol to Ethanol within the Production

of Biodiesel from AlgaeMariano Martin, Ignacio Grossmann 85

Robust Superstructure Optimisation of a Bioreactor that Produces Red Blood Cells

Ruth Misener, Jonathan Chin, Min Lai, Maria Fuentes Gari, Eirini Velliou,

Nicki Panoskaltsis, Efstratios N. Pistikopoulos, Athanasios Mantalaris 91

New Intensified Distillation Systems for Quaternary Petlyuk ConfigurationBen-Guang Rong, Massimiliano Errico, Juan Gabriel Segovia-Hernandez 97

A Numerical Modelling Approach for Dual Reflux PSA SeparationofN2 and CH4 in LNG Production

Yechun Zhang, Thomas L.H Saleman, Eric F. May, Brent R. Young 103

Design of Multi-pressure Organic Rankine Cycles for Waste Heat Recoveryin Site Utility SystemsMirko Z. Stijepovic, Athanasios I. Papadopoulos, Patrick Linke,

Aleksandar S. Grujic, Panos Seferlis 109

MINLP Optimization Algorithm for the Synthesis ofHeat and Work ExchangeNetworks

Viviani C. Onishi, Mauro A. S. S. Ravagnani, Jose A. Caballero 115

Sustainable Development ofthe Shale Gas Supply Chain and the Optimal DrillingStrategy for Nonconventional Wells

Diego C. Cafaro, Ignacio E. Grossmann 121

Design of Ionic Liquids by Principal Component Decision Trees

Zelimir F. Kurtanjek 127

Model-Based Analysis for Acetone-Butanol-Ethanol Production Process througha Dynamic Simulation

Ricardo Morales-Rodriguez, Divanery Rodriguez-Gomez, Mauricio Sales-Cruz,

Jose A. de los Reyes-Heredia, Eduardo S. Perez Cisneros 133

Contents vii

Heat Exchanger Network Synthesis using MINLP Stage-wise Model with Pinch

Analysis and Relaxation

Natchanon Angsutorn, Kitipat Siemanond, Rungroj Chuvaree 139

Study of Energy Efficient Distillation Columns Usage for MulticomponentSeparations through Process Simulation and Statistical Methods

Sandra S. Florindo, Isabel M. Joao, Joao M. Silva 145

Structure Generation of Candidate Reactants Using Signature DescriptorsVikrant A. Dev, Nishanth G. Chemmangattuvalappil, Mario R. Eden 151

Validation of a New Double-Column System for Heteroazeotropic Batch

Distillation by Experiments and Dynamic Simulation

Ferenc Denes, XavierJoulia, Peter Lang 157

MINLP Model for the Synthesis of Heat Exchanger Networks with HandlingPressure of Process Streams

Viviani C. Onishi, Monro A. S. S. Ravagnani, Jose A. Caballero 163

Modelling ofan Amine Based CO2 Absorption Plant: an Alternative Approachthrough the Identification ofthe Number of Stages

Roberto Baratti, Massimiliano Errico, Daniele Pinna, Paolo Deiana,

Marcella Porru 169

Optimal Superstructure-Based Design and Synthesis of Hydrocarbon Biorefineryvia Fast Pyrolysis, Hydrogen Production and Hydroprocessing Pathway

Qiao Zhang, Jian Gong, Fengqi You 175

Rate-based Modelling ofChilled Ammonia Process (CAP) for C02 CaptureDawid P. Hanak, Chechet Biliyok, Hoi Yeung, Vasilije Manovic 181

Coupled Population Balance-CFD Modelling of a Continuous Precipitation Reactor

Botond Szildgyi, Paul Serban Agachi, Reka Barabds, Bela G. Lakatos 187

Process Design for Extraction of Soybean Oil Bodies by Applying the Product

Driven Process Synthesis MethodologyAleksandra Zderic, Tugba Tarakci, Nasim Hooshyar, Edwin Zondervan,

Jan Meuldijk 193

Global Optimization for Flexible Heat Exchanger Network Synthesis

ofChemical Plant

Lautaro Braccia, Lucas Nieto Degliuomini, Patricio Luppi, Marta S. Basualdo 199

A Systems Approach for the Holistic Screening of Second Generation BiorefineryPaths for Energy and Bio-based Products

Marinella Tsakalova, Aidong Yang, Antonis C. Kokossis 205

Full Bivariate MWD in RAFT Copolymerization using Probability

Generating Functions

Cecilia Fortunatti, Adriana Brandolin, Claudia Sarmoria, Mariano Asteasuain 211

viii Contents

Numerical and Optimisation Methodology

Numerical Investigations ofPacked Bed Reactors with Irregular Particle

ArrangementsTheodoros Atmakidis, Eugeny Y. Kenig 217

Stabilization of Empty Fruit Bunch (EFB) derived Bio-oil using Antioxidants

Chung Loong Yiin, Suzana Yusup, Parncheewa Udomsap, Boonyawan Yoosuk,

Sittha Sukkasi 223

Three-scale Modeling and Simulation of a Batch Suspension Polymerization

Vinyl Chloride Reactor

Agnes Barkanyi, Sdndor Nemeth, Beta G. Lakatos 229

Biodiesel Production from Waste Vegetable Oils: Combining Process Modelling,Multiobjective Optimization and Life Cycle Assessment (LCA)Luis-Fernando Morales Mendoza, Marianne Boix, Catherine Azzaro-Pantel,

Ludovic Montastruc, Serge Domenech 235

A Novel Cross-decomposition Multi-cut Scheme for Two-Stage Stochastic

ProgrammingSumit Mitra, Pablo Garcia-Herreros, Ignacio E. Grossmann 241

Optima! Wavelet-Threshold Selection to Solve Dynamic Optimization Problems

Lizandro S. Santos, Argimiro R. Secchi, Evaristo C. Biscaia Jr. 247

Incorporating Green into Production and Consumption Behaviours toward

Sustainable Logistics Optimization in Process SystemsYoshiaki Shimizu 253

Parametric Solution Algorithms for Large-Scale Mixed-Integer Fractional

Programming Problems and Applications in Process Systems EngineeringZhixia Zhong, Fengqi You 259

Optimal Valve Spacing for Next Generation C02 PipelinesSolomon Brown, Vikram Sundara, Sergey Martynov, Haroun Mahgerefteh 265

SMART: An Integrated Planning and Decision Support Tool for Solid Waste

ManagementSie Ting Tan, Haslenda Hashim, Chew Tin Lee, Jeng Shiun Lim, Wai Shin Ho,

Jinyue Yan 271

Mass Transfer in a Porous Particle - MCMC Assisted Parameter Estimation

of Dynamic Model under Uncertainties

Petteri Suominen, Teuvo Kilpid, Tapio Salmi 277

Inventory Pinch Based Multi-Scale Model for Refinery Production PlanningPedro A. Castillo Castillo, Vladimir Mahalec 283

Contents ix

Estimation of Specific Fluxes in Metabolic Networks using Non-linear DynamicOptimization

Dominique Vercammen, Filip Logist, Jan Van Impe 289

Optimal Design of Heat Exchanger Networks by Using SQP Algorithm Based

on GPU Acceleration

Lixia Kang, Yongzhong Liu, Yuxing Ren, Yazhe Tang 295

Optimal Scheduling ofMulti-stage Multi-product Biopharmaceutical Processes

Using a Continuous-time Formulation

Miguel Vieira, Tdnia Pinto-Varela, Ana Paula Barbosa-Povoa 301

Spatial-based Approach ofthe Hydrogen Supply Chain in the Midi-PyreneesRegion, France

Sofia De-Leon Almaraz, Marianne Boix, Catherine Azzaro-Pantel,

Ludovic Montastruc, Serge Domenech 307

Multi-Objective Meta-Heuristic Approach supported by an Improved Local

Search Strategy for the Design and Planning of Supply Chain Networks

Nelson Chibeles-Martins, Tdnia Pinto-Varela, Ana Paula Barbosa-Povoa,

A. Q. Novais 313

Large-Scale Biorefinery Supply Network - Case Study of the European Union

Lidija Cucek, Mariano Martin, Ignacio E. Grossmann, Zdravko Kravanja 319

Optimal Chemical Product Design via Fuzzy Optimisation based Inverse Design

TechniquesLik Yin Ng, Nishanth G. Chemmangattuvalappil, Denny K. S. Ng 325

Numerical Analysis of Radiant Section of Fired Heater Focused on the Effect

ofWall-Tube Distance

Jifi Hajek, Zdenek Jegla, Jifi Vonddl 331

Logic-Based Outer Approximation for the Design of Discrete-Continuous

Dynamic Systems with Implicit Discontinuities

Ruben Ruiz-Femenia, Jose A. Caballero, Ignacio E. Grossmann 337

Problem Diagnostics and Model Refinement in Dynamic Parameter Estimation

Neima Brauner, Mordechai Shacham 343

The Role ofMobile Devices in Computer Aided Process Engineering

Mordechai Shacham, Michael B. Cutlip, Michael Elly 349

Modelling the Oxidation of Spent Uranium Carbide Fuel

James Shepherd, Michael Fairweather, Peter Heggs, Bruce Hanson 355

Optimization of Performance Qualifiers during Oil Well DrillingMdrcia Peixoto Vega, Marcela Galdino de Freitas, Andre Leibsohn Martins 361

Modelling and Optimization ofNatural Gas Networks

Tania Rodriguez, Daniel Sarabia, Mar Valbuena, Cesar de Prada

Process and Enterprise Operations

Steel Production Scheduling Optimization under Time-sensitive Electricity Costs

Hubert Hadera, liro Harjunkoski, Ignacio E. Grossmann, Guido Sand,

Sebastian Engell

Integration Framework for Improving Quality and Cost-Effectiveness

in Pharmaceutical Production Processes

Hirokazu Sugiyama, Masahiko Hirao

Optimal Design ofGeneralized Supply Chain Networks

Magdalini A. Kalaitzidou, Pantelis Longinidis, Panagiotis Tsiakis, Michael C.

Georgiadis

Intelligent Process Management for Continuous Operations in Pharmaceutical

ManufacturingArun Giridhar, Anshu Gupta, Matt Louvier, Girish Joglekar, Zoltdn K. Nagy,Gintaras V. Reklaitis

Statistical Process Control based Energy Monitoring of Chemical Processes

Tibor Kulcsar, Peter Koncz, Miklos Balaton, Laszlo Nagy, Janos Abonyi

A Bi-Criterion Optimization Planning Model for Process Networks with MultipleScenarios and Environmental ImpactAhmad M. Alothman, Ignacio E. Grossmann

Combining Supplier Selection and Production-Distribution Planning in Food

Supply Chains

Pedro Amorim, Bernardo Almada-Lobo, Ana P.F.D. Barbosa-Povoa,

Ignacio E. Grossmann

Embedding of Timed Automata-based Schedule Optimization into RecipeDriven Production

Christian Schoppmeyer, Stephan Fischer, Jochen Steimel, Vinh Quang Do,Nan Wang, Sebastian Engell

Life-cycle Modelling for Fault Detection - Extraction of PCA Models from

Flowsheeting Simulators

Barbara Farsang, Sandor Nemeth, Janos A bonyi

Integration of Scheduling and ISA-95

liro Harjunkoski

Stochastic Price/Cost Models for Supply Chain Management of Refineries

Rafael Rasello, Davide Manca

Contents xi

Integrating Planning and Scheduling in an Oil Refinery with a Rolling Horizon

ApproachEdwin Zondervan, Michiel Kaland, Martijn A.H. van Elzakker, Jan C. Fransoo,Jan Meuldijk 439

Improving the Energy Management ofa Building Complex through Utility SystemModellingMichal Tous, Vitezslav Mdsa, Martin Pavlas, Valentyn Avramov 445

Operation and Modeling of RO Desalination Process in Batch Mode

Marta Barello, Davide Manca, Raj Patel, Iqbal M. Mujtaba 451

Simultaneous Nonlinear Reconciliation and Update ofParameters for Online Use

of First-Principles Models: An Industrial Case-Study on Compressors

Matteo Cicciotti, Dionysios P. Xenos, Ala E. F. Bouaswaig,Ricardo F. Martinez-Botas, Flavio Manenti, Nina F. Thornhill 457

Data-Based Tiered Approach for Improving Pharmaceutical Batch Production

Processes

Lukas G. Eberle, Hirokazu Sugiyama, Stavros Papadokonstantakis,Andreas Graser, Rainer Schmidt, Konrad Hungerbiihler 463

Plug Flow vs. Discontinuous Modelling Approaches for Plasma - Based

Depollution of Exhausts

Valentino Gogulancea, Vasile Lavric 469

Application of Pricing Policies for Coordinated Management of Supply Chains

Kefah Hjaila, Miguel Zamarripa, AhmedShokry, Antonio Espuna 475

Energy from Lignocellulosic Biomass: Supply Chain Modeling to Maximize

Net Energy Production

Helena Paulo, Ana Paula F.D. Barbosa-Povoa, Susana Relvas 481

SPIonWEB - Ecological Process Evaluation with the Sustainable

Process Index (SPI)Khurram Shahzad, Rene Kallmann, Stephan Maier, Michael Narodoslawsky 487

Reactive Scheduling for the Coordination of Energy Supply and Demand

Management in MicrogridsJavier Silvente, Georgios M. Kopanos, Efstratios N. Pistikopoulos, Antonio Espuna 493

Robust Production Planning and Scheduling ofa Pulp Digester and a Paper Machine

Goncalo Figueira, Bernardo Almada-Lobo 499

Modelling Cobalt Solvent Extraction using Aspen Custom Modeler

Heather A. Evans, ParisaA. Bahri, Linh T.T. Vu, Keith R. Barnard 505

Hierarchical Production Scheduling - A Case Study at PerstorpAnna Lindholm, Helene Lidestam, Nils-Hassan Quttineh 511

xii Contents

An Extended Comparative Study of Two- and Three-Way Methodologies

for the On-line Monitoring of Batch Processes

Raquel D. Moita, Veronique M. Gomes, Pedro M. Saraiva, Marco S. Reis 517

Integrated Scheduling and Dynamic Optimization for Network Batch Processes

Yunfei Chu, Fengqi You 523

Integration of Scheduling and Control Using Internal Coupling Models

Jungup Park, Juan Du, liro Harjunkoski, Michael Baldea 529

Dynamics and Control

Supervisory Control of a Drop on Demand Mini-manufacturing System for

Pharmaceuticals

Elcin Icten, Zoltdn K. Nagy, Gintaras V. Reklaitis 535

Simultaneous Multi-Parametric Model Predictive Control and State Estimation

with Application to Distillation Column and Intravenous Anaesthesia

loana Nascu, Romain S.CLambert, Alexandra Krieger, Efstratios N. Pistikopoulos 541

Controller Design for Nonlinear Hammerstein and Wiener Systems Based

on VRFT Method

Jyh-ChengJeng, Yi-WeiLin 547

Time-Optimal Control of Batch Multi-Component Diafiltration Processes

Martin Jelemensky, Radoslav Paulen, Miroslav Fikar, Zoltdn Kovdcs 553

Novel Domain-Specific Language Framework for Controllability AnalysisAfshin Sadrieh, Parisa A. Bahri 559

Polynomial Chaos Expansion (PCE) Based Surrogate Modeling and Optimizationfor Batch Crystallization Processes

Nahid Sanzida, Zoltdn K. Nagy 565

Multi-Objective and Robust Optimal Control of a CVD Reactor for PolysiliconProduction

Mattia Vallerio, Daan Claessens, Filip Logist, Jan Van Impe 571

On the Modeling of C7+ Fractions with Real Components in Plant Simulations

Marcella Porru, Andrea Saliu, Roberto Baratti 577

Towards Model-Based Diagnosis ofvon Willebrand Disease

Federico Galvanin, Andrea Monte, Alessandra Casonato, Roberto Padrini,

Massimiliano Barolo, Fabrizio Bezzo 583

Control ofCyclic Distillation Systems

Costin Sorin Bildea, Catalin Pdtruf, Anton A. Kiss 589

On the Stability of Set-Valued Integration for Parametric Nonlinear ODEs

Mario E. Villanueva, Boris Houska, Benoit Chachuat 595

Contents xiii

Statistical Control ofCommercial Detergents Production through Fourier Transform

Infra-Red Spectroscopy

Alessandra Taris, Massimiliano Grosso, Fabio Zonfrilli, Vincenzo Guida 601

A Self-Optimizing Strategy for Optimal Operation ofa Preheating Train for a

Crude Oil Unit

Johannes Jaschke, Sigurd Skogestad 607

Sugar Crystallization Benchmark

Rogelio Mazaeda, Luis F. Acebes, Alexander Rodriguez, Sebastian Engell,Cesar de Prad 613

Dynamic Simulation and Control of Post-combustion C02 Capture with MEA

in a Gas Fired Power Plant

Evgenia D. Mechleri, Chechet Biliyok, Nina F. Thornhill 619

A Methodology for Experimental Determination of Stability Boundaries

with Application to Fluidized Bed Spray Granulation

Stefan Palis, Christian Dreyschultze, Achim Kienle 625

Control Strategy Designs and Simulations for a Biological Waste Water

Treatment Process

Linh T.T. Vu, Mitchell S.J. Williams, Parisa A. Bahri 631

Optimal Integrated Operation of a Sugar Production Plant

Reinaldo Hernandez, Lars Simora, Radoslav Paulen, Sven Wegerhoff,

Rogelio Mazaeda, Cesar de Prada, Sebastian Engell 637

Sensitivity Enhancing Transformations for Large-Scale Process Monitoring

Tiago J. Rato, Marco S. Reis 643

Data-driven Self-optimizing Control

Salihu Adamu Girei, Yi Cao, Alhaji Shehu Grema, Lingjian Ye, Vinay Kariwala 649

Optimal Management of Sewer Networks during Wet Weather Event

by Stochastic Dynamic Programming

Sojiene Kachroudi, Damien Chenu, Nicolas David 655

A Data-Driven Approach for Analysing the Operational Behaviour

and Performance of an Industrial Flue Gas Desulphurisation Process

Martin Gassner, John Nilsson, Emma Nilsson, Thomas Palme, Heiko Ziifle,

Stefano Bernero 661

Algorithms and Methods for Identification ofMultivariable Plants

Claudio Garcia, Alain Segundo Potts, Rodrigo Juliani Correa de Godoy,

Vitor Alex Oliveira Alves, Tiago Sanches da Silva 667

Optimal Operation and Control of Divided Wall Column

Ambari Khanam, MohammadShamsuzzoha, Sigurd Skogestad 673

Contents

On-line Fault Diagnosis by Combining Functional and Dynamic Modellingof Chemical Plants

Ismael Diaz, Manuel Rodriguez 679

Developing a Soft Sensor for an Air Separation Process Based on Variable

Selection in Dynamic Partial Least SquaresJialin Liu, Ding-Sou Chen 685

Model Based Fault Diagnosis for Performance Control ofa Decentralized

Wastewater Treatment Plant

Rita Ribeiro, Carlo I. C. Pinheiro, Tatiana Arriaga, Helena M. Pinheiro,

Maria do Ceu Almeida 691

CFD-Study for the Design of Injector / Conductivity Sensor Manifold

Heinz A. Preisig 697

A New Functional Systems Theory based Methodology for Process Hazards AnalysisManuel Rodriguez, Ismael Diaz 703

Global Sensitivity Analysis for Control of Biological Wastewater Treatment

Alicia Roman-Martinez, Pastor Lanuza-Perez, Margarito Cepeda-Rodriguez 709

Fast Nonlinear Predictive Control and State Estimation of Distillation Columns

Using First-Principles Reduced-order Model

Guilherme A. A. Goncalves, Argimiro R. Secchi, Evaristo C. BiscaiaJr. 715

Auto-Tuning of Multivariate PI/PID Controllers Using Iterative Feedback Tuning:

Design ExamplesSteffen Sommer, Hoang N. Nguyen, Achim Kienle 721

MIMO Control during Oil Well DrillingMdrcia Peixoto Vega, Marcela Galdino de Freitas, Andre Leibsohn Martins 727

Optimisation of a Sequencing Batch Reactor for Production of Polyhydroxybutyrate

Using Process Characterisation Method and Neural Network ModellingAmin Ganjian, Jie Zhang, Rui Oliveira 733

Active Disturbance Rejection Control ofa Neutralisation Process

Alison Brown, Jie Zhang 739

A Novel Real-Time Methodology for the Simultaneous Dynamic Optimizationand Optimal Control of Batch Processes

Francesco Rossi, Flavio Manenti, Iqbal M. Mujtaba, Giulia Bozzano 745

A Simple PID Tuning Rule with Robustness Analysis for the Time Delay Process

Ambari Khanam, MohammadShamsuzzoha 751

Process Design and Control of a Xylitol Production Reactor

Hector Hernandez-Escoto, Divanery Rodriguez-Gomez, Ricardo Morales-Rodriguez 757

Contents xv

ANN-based Virtual Sensor for On-line Prediction of In-cylinder Pressure

in a Diesel Engine

Katarzyna Bizon, Gaetano Continillo, Simone Lombardi, Ezio Mancaruso,

Bianca M. Vaglieco 763

Temperature Control of Enzymatic Batch Esterification Reactor Using Nonlinear

Model Predictive Control (NMPC): A Real-Time ImplementationSiti Asyura Zulkeflee, Suhari Abd Sata, NorashidAziz 769

Multiple Input Multiple Output Nonlinear Autoregressive with Exogenous InputModel for Enzymatic Batch Esterification Reactor

Siti Asyura Zulkeflee, Suhari Abd Sata, NorashidAziz 775

Model Development and Experimental Validation for Crystal Shape Control

by Using Tailored Mixtures of Crystal Growth Modifiers

Akos Borsos, Aniruddha Majumder, Zoltdn K. Nagy 781

Batch-to-batch Steady State Identification via Online Ensemble Empirical Mode

Decomposition and Statistical Test

Bi-Ling Huang, Yuan Yao 787

Robust NMPC of a Hydrodesulfuration Unit Using Multi-stage Stochastic

ProgramingRuben Marti, Daniel Navia, Daniel Sarabia, Cesar de Prada 793

Optimal Fuzzy Control of Batch Polymerization Reactors: Application to PMMA

Production for Biomedical PurposesNddson M. N. Lima, Lamia Zuniga Linan, Felix S. Farias Junior, Flavio Manenti,

Rubens Maciel Filho, Marcelo Embirucu, Maria R. WolfMaciel 799

Modelling and Design a Controller for Improving the Plating Performance of a Hard

Chromium Electroplating Process

Surasit Tanthadiloke, Paisan Kittisupakorn, Iqbal M. Mujtaba 805

Informatics and Knowledge Management

Investigations on Information-rich Visualizations to Explore Process Connectivityand CausalityDavid D. Romero, Nina F. Thornhill, Tone-Grete Graven 811

Computer-Aided Template for Model Reuse, Development and Maintenance

Marina Fedorova, Gurkan Sin, Raflqul Gani 817

Public Protection Integrated Program Development for Chemical and RadiologicalDisasters

Seungnam Kim, Kwanghee Lee, II Moon 823

Forecasting ofNaphtha Demand and Supply using Time Serial Data Causal AnalysisByeonggil Lyu, Hweeung Kwon, Jinsuk Lee, Haesub Yoon, JaehyungJin, 11 Moon 829

Contents

Eigenvector Analysis for the Ranking ofControl Loop ImportanceSimon J. Stretcher, St. Elmo Wilken, Carl Sandrock 835

Towards a Re-Usable Ontology for Waste ProcessingNikolaos Trokanas, Franjo Cecelja, Tara Raafat 841

Optimising Environmental Performance ofSymbiotic Networks Using Semantics

Nikolaos Trokanas, Franjo Cecelja, Mingyen Yu, Tara Raafat 847

A Novel Knowledge Management System Based on Workflows

Girish Joglekar, Arun Giridhar, Gintaras V. Reklaitis 853

Integration ofMethods for Optimization in a Knowledge Management FrameworkEdrisi Muhoz, Elisabet Capon-Garcia, Jose Miguel Lainez-Aguirre,Antonio Espuha, Luis Puigjaner 859

A Graph Approach to Representing the Pressure Distribution in Complex Plants

Heinz A. Preisig 865

Towards Automatic Construction of Domain Ontologies: Application to ISA88

Javier Farreres, Moises Graells, Horacio Rodriguez, Antonio Espuha 871

Natural Language Modelling in Process Synthesis and OptimizationVassilis Magioglou, Marinella Tsakalova, Antonis Kokossis 877

Soft Sensor Development with Nonlinear Variable Selection Using NonnegativeGarrote and Artificial Neural Network

Kai Sun, JiaLin Liu, Jia-Lin Kang, Shi-ShangJang, David Shan-Hill Wong,

Ding-Sou Chen 883

Automation in Process Industry: Cure or Curse? How can Training ImproveOperator's Performance

Salman Nazir, Annette Kluge, Davide Manca 889

Decision Support Tool for Strategic Planning in Supply Chains

Pedro Costa, Maria Isabel Gomes, Ana Carvalho, Ana Barbosa-Povoa 895

Novel Computational & Numerical Methods

A Novel MaxEnt Method for the Solution of Two-Dimensional PopulationBalance Equation with Particle Growth

Menwer Attarakih, Hans-JQrg Bart 901

Large Eddy Simulation ofNon-spherical Particle Deposition in a Vertical

Turbulent Channel Flow

Derrick O. Njobuenwu, Michael Fairweather 907

An Integral Approach to Multi-physics Application for Packed Bed Reactors

Bernhard Peters, Xavier Besseron, Alvaro Estupinan, Florian Hoffmann,Mark Michael, Amir Mouhmadi, Mohammad Mohseni 913

Contents xvii

Measurement and Modelling of the Near-field Structure of Large-scaleSonic C02 Releases from PipelinesRobert M. Woolley, Michael Fairweather, Christopher J. Wareing,Samuel A.E.G. Falle, Christophe Proust, Jerome Hebrard, Didier Jamois 919

Efficient Model Reduction ofSMB Chromatography by Krylov-subspaceMethod with Application to Uncertainty Quantification

Yao Yue, Suzhou Li, Lihong Feng, Andreas Seidel-Morgenstern, Peter Benner 925

Efficient Computational Methods for Microscopic Simulations in Multi-scale Systemsloannis S. Fragkopoulos, Constantinos Theodoropoulos 931

Molecular Dynamics Simulations of Competitive Protein Adsorption onto

Chromatographic Media

Juan Liang, Georg Fieg, Sven Jakobtorweihen 937

Hybrid Modeling of Phase Transition for Evaporators and Condensers in Chillers

Jing Wu, Christian Jallut, Emilie Gagniere, Francoise Couenne, Boussad Hamroun 943

Reformulation-linearization Method for Global Optimization ofMixed Integer Linear

Fractional Programming Problems with Application on Sustainable Batch Scheduling

Dajun Yue, Fengqi You 949

Product Quality Monitoring Using Extreme Learning Machines and Bat algorithms:A Case Study in Second-Generation Ethanol Production

Felix S. Farias Junior, Renan A. Azevedo, Elmer C. Rivera, William E. Herrera,

Rubens M. Filho, Luiz P. Lima Junior 955

Multi-level Optimization Framework Applied to the Systematic Evaluation

of Metabolic Objective Functions

Pavel Vaskan, Gonzalo Guillen-Gosdlbez, Albert Sorribas, Rui Alves,

Laureano Jimenez 961

Reynolds Number Effects on Particle Agglomeration in Turbulent Channel Flow

Mohammad Afkhami, Ali Hassanpour, Michael Fairweather, Derrick O. Njobuenwu 967

Sustainability and Life Cycle Analysis

Optimal Design ofa Bioethanol Supply Chain Considering Different

Environmental Impact Assessment Methods

Gustavo Lucas, Fabrizio Bezzo, Ana Carvalho 973

Modeling Multi-period Operations using the P-graph Methodologylstvdn Heckl, Ldszlo Haldsz, Adrian Szlama, Heriberto Cabezas, Ferenc Friedler 979

Life Cycle Modelling ofAlternative Gas-fuelled Power Plants with C02 Captureand StorageZhenggang Nie, Anna Korre, Sevket Durucan 985

xviii Contents

Investigation on Life-cycle Cost ofCoal-based Synthetic Natural Gas (SNG)Jun Zhang, Hengchong Li, Siyu Yang, Xiuxi Li, Yu Qian 991