16th European Symposium on Computer Aided Process Engineering and 9th International Symposium on Process Systems Engineering

Front Cover......Page 1
Title Page......Page 4
Copyright Page......Page 5
Keynotes......Page 6
Innovation in the Chemical Industry: A Growth Engine......Page 34
Life Cycle Modelling in the Chemical Industries: Is there any Reuse of Models in Automation and Control......Page 36
Hierarchical Multiscale Model-based Design of Experiments, Catalysts, and Reactors for Fuel Processing......Page 42
Process Intensification and Process System Engineering: A Friendly Symbiosis......Page 62
Recent Developments in the Risk Management of Offshore Production Systems......Page 72
Challenges and Opportunities in Process Innovation......Page 78
Recent Developments and Industrial Applications of Data-based Process Monitoring and Process Control......Page 90
Model-Centric Technologies for Support of Manufacturing Operations......Page 96
The Systems Engineering of Cellular Processes......Page 104
Systems Biology and the Silicon Cell: Order out of Chaos......Page 114
Challenges for Process System Engineering in Infrastructure Operation and Control......Page 128
Supply Chain Design, Management and Optimization......Page 134
Business Decision Making in the Chemical Industry: PSE Opportunities......Page 140
Contributed Papers......Page 7
Simulation of Mass Transfer in Reactive Absorption......Page 152
Integration of Generalized Disjunctive Programming with Modular Process Simulators......Page 158
Large-scale Optimization Strategies for Zone Configuration of Simulated Moving Beds......Page 164
Comparison of the Startup of Reactive Distillation in Packed and Tray Towers......Page 170
Parameter Estimation for Stochastic Differential Equations: Algorithm and Application to Polymer Melt Rheology......Page 176
A “Targeted” QSPR for Prediction of Properties......Page 182
Global Bounds on Optimal Solutions in Chemical Process Design......Page 188
Stochastic Grey Box Modeling of the Enzymatic Biochemical Reaction Network of E. Coli Mutants......Page 194
Validated Solution of ODEs with Parametric Uncertainties......Page 200
Optimal Experimental Design for Ill-posed Problems......Page 206
Dynamic Oil and Gas Production Optimization via Explicit Reservoir Simulation......Page 212
Multi-Scale Modelling and Optimization of Hydrogen Storage Systems Using Advanced Solid Materials......Page 218
Risk Analysis and Robust Design Under Technological Uncertainty......Page 224
Network of Three Catalytic Reactors with Periodical Feed Switching for Methanol Synthesis: Bifurcation Analysis......Page 230
CFD Model of a Semi-batch Reactor for the Precipitation of Nanoparticles in the Droplets of a Microemulsion......Page 236
Solution of the Population Balance Equation Using the Sectional Quadrature Method of Moments (SQMOM)......Page 242
A Global Parametric Programming Optimisation Strategy for Multilevel Problems......Page 248
Modelling Deammonification in Biofilm Systems: Sensitivity and Identifiability Analysis as a Basis for the Design of Experiments for Parameter Estimation......Page 254
The Combined-Continuum-and-Discrete-Model (CCDM) for Simulation of Liquid-particle Flows......Page 260
Implementation of Efficient Logic-based Techniques in the MINLP Process Synthesizer MIPSYN......Page 266
Calculation of Three-phase Bubble Columns......Page 272
A Framework for Model-based Design of Parallel Experiments in Dynamic Systems......Page 282
OPEN CHEMASIM TM: Breaking Paradigms in Process Simulation......Page 288
Simulation of the Population Balance for Droplet Breakage in a Liquid-liquid Stirred Tank Reactor Using H-matrix Methods......Page 294
Simultaneous Dynamic Validation/Identification of Mechanistic Process Models and Reconciliation of Industrial Process Data......Page 300
A Model Discrimination Based Approach to the Determination of Operating Regimes for Chemical Reactors......Page 306
A Performance Comparison of some High Breakdown Robust Estimators for Nonlinear Parameter Estimation......Page 312
Equivalent Dynamic Solution of an Industrial HDPE Slurry Reactor......Page 318
Dynamical and Stationary Analysis of an Electrolyte Diode and Comparison with Experiments......Page 324
Stability Analysis of Differential-Algebraic Equations in AUTO_DAE......Page 330
Application of Particulate Models for Industrial Processes......Page 336
Optimization of Operating Conditions for Ferrichrome Production in a Membrane Bioreactor Using Ustilago maydis......Page 342
Modelling and Simulation of MSF Desalination Process Using gPROMS and Neural Network Based Physical Property Correlation......Page 348
A New Operation Mode for Reactive Batch Distillation in Middle Vessel Columns: Start-up and Operation......Page 354
Towards a Novel Optimisation Algorithm with Simultaneous Knowledge Acquisition for Distributed Computing Environments......Page 360
Floating Index of Inequality Constrained DAE Systems......Page 366
Predictive Modeling of Ionic Permselectivity of Porous Media......Page 372
Development of a Multi-Compartment Dynamic Model for the Prediction of Particle Size Distribution and Particle Segregation in a Catalytic Olefin Polymerization FBR......Page 378
Mixing in a T-shaped Microreactor: Scales and Quality of Mixing......Page 384
Direct Modelling of Unit Operations on Molecular Level......Page 392
Modelling and Simulation of Fe2O3/Aluminum Thermite Combustion: Experimental Validation......Page 398
Modelling of Self-ignition and Process Upsets in Industrial Gaseous Hydrocarbon Oxidation Processes......Page 404
A Simplex Search Method for Experimental Optimization with Multiple Objectives......Page 410
Automatic Generation of Reduced Reaction Mechanisms for Hydrocarbon Oxidation with Application to Autoignition Boundary Prediction for Explosion Hazards Mitigation......Page 416
Combining HAZOP with Dynamic Process Model Development for Safety Analysis......Page 422
Validation of a Digital Packing Algorithm for the Packing and Subsequent Fluid FlowThrough Packed Columns......Page 428
A Hybrid Global Optimization Scheme for Process Design and Dynamic Optimization......Page 434
Parameter Identifiability Analysis and Model Fitting of a Biological Wastewater Model......Page 442
Methodology for Decision Support Among Conflicting Objectives Using Process Simulators......Page 448
Grey-box Stochastic Modelling of Industrial Fed-Batch Cultivation......Page 454
Monitoring and Improving LP Optimization with Uncertain Parameters......Page 460
Assessing the Performance of Batch Reactive Distillations Through Conceptual Models......Page 466
An Integrated Stochastic Method for Global Optimization of Continuous Functions......Page 472
The ProMoT/Diana Simulation Environment......Page 478
Strategy and Framework for Solving Signal-based MIDO Problems......Page 484
“Smart Models” - A Framework for Adaptive Multi-Scale Modelling......Page 490
Process Design Using Ionic Liquids: Physical Property Modeling......Page 496
Study of Non-linear Dynamics in Reactive Distillation for TAME Synthesis Using Equilibrium and Non-equilibrium Models......Page 502
An Agent-Oriented Architecture for Modeling and Optimization of Naphtha Pyrolysis Process......Page 508
On Model Portability......Page 516
Utility Systems Operational Planning Optimization Based on Pipeline Network Simulation......Page 522
Particle Swarm for the Dynamic Optimization of Biochemical Processes......Page 530
A-priori Identification of Critical Points for the Design and Synthesis of Flexible Process Schemes......Page 536
Using Water Cascade Analysis to Synthesize Water use Network in Batch Process......Page 542
Multiobjective Optimization of Multipurpose Batch Plants Using Superequipment Class Concept......Page 548
Integrated Design of Energy-Saving Chemical Process Systems: Strategy, Methods and Implementation......Page 554
Generic Hybrid Models of Solvent-based Reactive Systems Combined with Membrane Separation System......Page 560
On the Numerical Calibration of Discrete Element Models for the Simulation of Bulk Solids......Page 566
A Heat Transfer Model of a Scraped Surface Heat Exchanger for Ice Cream......Page 572
Computer-Aided Forecast of Catalytic Activity in an Hydrotreating Industrial Process Using Artificial Neural Network, Fuzzy Logic and Statistics Tools......Page 578
A Framework for Modeling Particle Size Effects in Emulsion Polymerization Systems Using Computational Fluid Dynamics Linked to a Detailed Population Balance Model......Page 584
Pricing Utilities for Large-Scale Chemical Production Site......Page 590
Optimal Experimental Design for the Precision of a Subset of Model Parameters in Process Development......Page 596
The Complex Distillation Column Network Systematic Optimization by Mathematical Programming......Page 602
Modelling and Simulation of Coal and Petcoke Gasification in a Co-current Flow Reactor......Page 610
Simulation of (Electro)Chromatography by means of CFD......Page 616
Modeling of Heat Transfer Processes in Particulate Systems......Page 622
A Comprehensive Investigation on High-Pressure LDPE Manufacturing: Dynamic Modelling of Compressor, Reactor and Separation Units......Page 628
Sensitivity Analysis in the Simulation of Complex Solids Processes......Page 634
Identification of Parametric and Structural Models Based on RTD Theory via GAMS Package......Page 640
Hybrid Modeling for Continuous Production of Bioethanol......Page 646
Prediction and Estimation Techniques for Modeling Pervaporation Process......Page 652
Model Discrimination and Parameter Estimation Through Sensitivity Analysis......Page 658
Solving MINLP Containing Noisy Variables and Black-Box Functions Using Branch-and-Bound......Page 666
Modelling and Simulation of High Pressure Industrial Autoclave Polyethylene Reactor......Page 672
Energy Saving in Distillation Columns: The Linde Column Revisited......Page 678
Computer-Aided Modeling for Hydrodesulfurization, Hydrodenitrogenation and Hydrodearomatization Simultaneous Reactions in a Hydrotreating Industrial Process......Page 684
Modelling and Dynamic Simulation of Thermal Stresses in Brazed Plate-Fin Heat Exchanger......Page 692
ReDrop - An Efficient Simulation Tool for Describing Solvent and Reactive Extraction Columns......Page 698
Numerical Simulation of Micro Roughness Effects on Convective Heat Transfer......Page 704
Classical Models of Secondary Settlers Revisited......Page 710
An Approach to Implicit Modelling for Complex Process Optimization......Page 716
Structural Design of Polymers for Membrane Based Separation Processes Using Reverse Simulation Approach......Page 722
Innovative Flowschemes Using Dividing Wall Columns......Page 728
On the Rapid Development of New Products Through Empirical Modelingwith Diverse Data-bases......Page 734
Conceptual Design of Reactive Distillation Flowsheets......Page 740
LCA of a Spent Lube Oil Re-refining Process......Page 746
Effective Process Design Instruction: From Simulation to Plant Design......Page 752
Developments in the Sequential Framework for Heat Exchanger Network Synthesis of Industrial Size Problems......Page 758
Linking Experiments to Modeling in Biodiesel Production......Page 764
Optimization Studies in Sulfuric Acid Production......Page 770
Integrating Advanced Thermodynamics and Process and Solvent Design for Gas Separation......Page 776
Integrated Approach to Crystallization Process Design for Fine Chemicals and Pharmaceuticals......Page 782
Improved Solutions for Zebra Mussel (Dreissena polymorpha) Control – A Chemical Product Engineering Approach......Page 788
Success Factors for CAPE in the Engineering Practice of a Process Plant Contractor......Page 796
Polyurethane Design Using Stochastic Optimization......Page 802
Real-Time Imaging and Product Quality Characterization for Control of Particulate Processes......Page 808
An Engineering Company’s Approach to Filling “CAPE Gaps” in Process Simulation......Page 814
A Computer-Aided Methodology with Robust Design Criteria for Selection of Solvents for Reactions......Page 820
Separation of Azeotropes in Batch Extractive Stripper with Intermediate Entrainer......Page 826
Conceptual Steady State Process Design in Times of Value Based Management......Page 832
Computer Aided Methods & Tools for Separation & Purification of Fine Chemical & Pharmaceutical Products......Page 838
Integration Along the Lifecycle of Calcium Fluoride in the Fluorine Industry......Page 844
Design of Sustainable Processes: Systematic Generation & Evaluation of Alternatives......Page 850
Systematic Procedure for Designing a Microreactor with Slit-Type Mixing Structure......Page 856
Model-based Optimal Design of Pharmaceutical Formulations......Page 862
Scope for Process Systems Engineering Studies in Proton Exchange Membrane Fuel Cells (PEMFC): A Review of Opportunities......Page 868
A Framework for Innovation in Process Development for Heterogeneously Catalysed Gas-phase Reaction Systems......Page 874
Multi-Objective Optimization of Fixed-Bed Ion Exchange Processes for Phytopharmaceutical Production......Page 880
Computer Aided Methodology for Simultaneous Synthesis, Design & Analysis of Chemical Products-Processes......Page 886
Correlation and Prediction of Drug Molecule Solubility with the NRTL-SAC Model......Page 892
Dynamic Modelling of Complex Batch Distillation Starting from Ambient Conditions......Page 898
Genetic Algorithms Approach for Retrofitting Heat Exchanger Network with Standard Heat Exchangers......Page 904
A Discrete Interactive Graphical Method for Heat Exchanger Network Synthesis......Page 910
Optimization of Nanosized Silver Particles Synthesis via Sequential Pseudo-Uniform Design Method......Page 916
Multiclass Molecular Knowledge Framework for Product and Process Design......Page 922
Quantitative Structure – Odor Relationship: Using of Multidimensional Data Analysis and Neural Network Approaches......Page 928
Simulation and Optimization in 1,3-butadiene Process from C4-Cut Using Genetic Algorithm......Page 934
Property Clustering and Group Contribution for Process and Molecular Design......Page 940
A Combinatorial Formulation for Optimal Sizing, Scheduling and Shift Policy in Designing the Milling Section of a Ceramic Tile Industrial Plant......Page 946
An Automated Method for Synthesizing a Multi-Stream Heat Exchanger Network Based on Stream Pseudo-Temperature......Page 952
Flexible Heat Exchanger Network Design for Chemical Processes with Operation Mode Changes......Page 958
Molecular Design Based on Enhanced Topological Descriptors......Page 964
Effects of Catalyst Activity Profiles on the Scale-up of Polymerization Reactors......Page 970
Optimization-based Root Cause Analysis......Page 976
A Synthesis Procedure for the Design of Semicontinuous Reactive Distillation for Specialty Chemicals......Page 982
Multi-Objective Optimisation of Batch Distillation Processes......Page 988
Sustainable Production of Industrial Chemical Products from Bioresources......Page 994
Cooling Crystallization: A Process-Product Perspective......Page 1000
A Systematic Approach for Automated Reaction Network Generation......Page 1006
A Hybrid Methodology for Detailed Heat Exchanger Design in the Optimal Synthesis of Heat Exchanger Networks......Page 1012
Optimal Design of Shell-and-Tube Heat Exchangers Using Genetic Algorithms......Page 1018
Integration of Process Design and Operation for Chemical Product Development with Implementation of a Kilo-Plant......Page 1024
Importance of the Selection of Feed Tray Location on the Optimum Design of a Heterogeneous Azeotropic Distillation Column with p-xylene Feed Impurity......Page 1030
Supporting Waste Minimization Studies by Integrating Expert System with Process Simulators......Page 1036
Process Intensification for Systematic Synthesis of New Distillation Systems with Less than N-1 Columns......Page 1042
Mixed-Integer Optimization of Distillation Column Tray Positions in Industrial Practice......Page 1048
A Chemical Process Design Framework Including Different Stages of Environmental, Health and Safety (EHS) Assessment......Page 1054
Multi-Objective Reactor Network Synthesis for Industrial Mass Transfer Limited Processes......Page 1060
Synthesis of Separation Systems for Azeotropic Mixtures: Preferred Distillation Region......Page 1066
Modeling and Designing Powder Mixing Processes Utilizing Compartment Modeling......Page 1072
Design and Control of Homogeneous and Heterogeneous Reactive Distillation for Ethyl Acetate Process......Page 1078
Decomposition Based Algorithm for the Design and Scheduling of Multipurpose Batch Plants......Page 1084
A Knowledge-based Approach for Accident Information Retrieval......Page 1090
Feasibility Study of Batch Reactive Distillation in Hybrid Columns......Page 1096
Heat Integration Between Processes: Integrated Structure Using Stage-Wise Model......Page 1102
Generic Model Framework for the Synthesis of Structured Reactive Separation Processes......Page 1108
Knowledge Extraction During the Design of Activated Sludge Systems......Page 1116
Pharmaceutical Process Development Applying Automated Laboratory Reactors......Page 1122
Addressing the Design of Chemical Supply Chains Under Demand Uncertainty......Page 1128
Development of a Mixture Design Methodology for Problems with Incomplete Information. Application to PVC Heat Stabiliser Design......Page 1134
Principles for Chemical Products Design......Page 1140
Mathematical Development for Scaling-up of Molecular Distillators: Strategy and Test with Recovering Carotenoids from Palm Oil......Page 1146
Case Study on Design of Regulatory Policies for Sustainable Emission Reduction......Page 1152
A Decomposition/Reconstruction Algorithmic Procedure for Computer Aided Case Based Reasoning – Implementation in Biodegradation......Page 1158
Environmentally Conscious Design of Ethanol Fed Fuel Cell System......Page 1164
Morphogenesis of Polyolefin Particles in Polymerization Reactors......Page 1170
Modeling and Design of a Biochemical Process for NOx Removal......Page 1176
Multicriteria Design of Separation Sequences by Including HSE Criteria and Uncertainty......Page 1182
Optimal Scheduling of Tests for New Product Development......Page 1188