European Symposium on Computer-Aided Process Engineering-15, 38 European Symposium of the Working Party on Computer Aided Process Engineering

Content: 
Preface
Page v
Luis Puigjaner, Antonio Espuña

International Scientific Committee
Page vi

Enterprise-wide decision support systems: PSE contributions & promise
Page 1
G.V. Rex Reklaitis

Modelling across the process life cycle: A risk management perspective Original Research Article
Pages 3-19
Ian T Cameron

Integrated chemical product-process design: CAPE perspectives Original Research Article
Pages 21-30
Rafiqul Gani

The statistical simplex method for experimental optimization with process data Original Research Article
Pages 31-36
Ernesto C. Martínez

Robust parameter estimation in nonlinear dynamic process models Original Research Article
Pages 37-42
María Rodríguez-Fernández, Antonio A. Alonso, Julio R. Banga

State space analysis, a tool for progress Original Research Article
Pages 43-48
Javier Villa Briongos, Jesús Guardiola Soler

About the relevance of mathematical programming and stochastic optimisation methods: Application to optimal batch plant design problems Original Research Article
Pages 49-54
Ponsich Antonin, Azzaro-Pantel Catherine, Domenech Serge, Pibouleau Luc

A lagrangean duality based branch and bound for solving linear stochastic programs with decision dependent uncertainty Original Research Article
Pages 55-60
Vikas Goel, Ignacio E. Grossmann

Stochastic MINLP optimisation using simplicial approximation Original Research Article
Pages 61-66
Vishal Goyal, M.G. Ierapetritou

A robust and efficient mixed-integer non-linear dynamic optimization approach for simultaneous design and control Original Research Article
Pages 67-72
Antonio Flores-Tlacuahuac, Lorenz T. Biegler

Towards an efficient mathematical procedure for calculating dynamic adsorption process Original Research Article
Pages 73-78
Agnes P. Scheer, Eduardo C.V. Toledo, Rubens M. Filho, Maria R. Wolf-Maciel

The numerical solution of moving boundary problems using the moving finite element method Original Research Article
Pages 79-84
Rui Robalo, Carlos Sereno, Maria do Carmo Coimbra, Alírio Rodrigues

A novel feasibility analysis approach based on dimensionality reduction and shape reconstruction Original Research Article
Pages 85-90
Ipsita Banerjee, Marianthi G. Ierapetritou

Identification of vertex and nonvertex critical points for large-scale approximate stochastic optimization Original Research Article
Pages 91-96
Zorka Novak Pintarič, Zdravko Kravanja

Infinite/infinite analysis as a tool for an early oriented synthesis of a reactive pressure swing process Original Research Article
Pages 97-102
Jordi Bonet, Raphaële Thery, Xuan-Mi Meyer, Michel Meyer, Jean-Michel Reneaume, Maria-Isabel Galan, José Costa

CFD modelling of mass transfer and interfacial phenomena on single droplets Original Research Article
Pages 103-108
Sylvia Burghoff, Eugeny Y. Kenig

Construction of a web–based library for testing the performance of numerical software for ODEs Original Research Article
Pages 109-114
Tova Alva, Mordechai Shacham, Neima Brauner, Michael B. Cutlip

Global optimization of ordinary differential equations models Original Research Article
Pages 115-120
Angelo Lucia, Meghan L. Bellows, Leah M. Octavio

A software toolbox for the dynamic optimization of nonlinear processes Original Research Article
Pages 121-126
María-Sonia G. García, Eva Balsa-Canto, Antonio A. Alonso, Julio R. Banga

Long-range process planning under uncertainty via parametric programming Original Research Article
Pages 127-132
André Hugo, Stratos Pistikopoulos

Global solution of mixed-integer dynamic optimization problems Original Research Article
Pages 133-138
Benoît Chachuat, Adam B. Singer, Paul I. Barton

Computational fluid dynamic modelling of atomisation processes in turbulent flows Original Research Article
Pages 139-144
N. Beheshti, A.A. Burluka, M. Fairweather

Multi-objective design space exploration under uncertainty Original Research Article
Pages 145-150
Soorathep Kheawhom, Paisan Kittisupakorn

Strategies for numerical integration of discontinuous DAE models Original Research Article
Pages 151-156
Domingos Fabiano de S. Souza, Roberta C. Vieira, Evaristo C. Biscaia Jr.

Direct initialisation and solution of high-index DAE systems Original Research Article
Pages 157-162
Rafael de P. Soares, Argimiro R. Secchi

The bivariate spatially distributed population balance equation: An accurate reduction technique Original Research Article
Pages 163-168
Menwer M. Attarakih, Hans-Jörg Bart, Naim M. Faqir

Opportunities and challenges of using sequential quadratic programming (SQP) for optimization of petroleum production networks Original Research Article
Pages 169-174
Marta Dueñas Díez, Kari Brusdal, Geir Evensen, Tor Barkve, Are Mjaavatten

On the development and implementation of knowledge-driven optimisation schemes: an application in non-isothermal reactor network synthesis Original Research Article
Pages 175-180
Victoria M. Ashley, Patrick Linke

Optimization under fuzzy if-then rules using stochastic algorithms Original Research Article
Pages 181-186
Jorge R. Rodríguez, María R. Méndez, Eugenio F. Carrasco

A hybrid algorithm for solving two-stage stochastic integer problems by combining evolutionary algorithms and mathematical programming methods Original Research Article
Pages 187-192
Jochen Till, Guido Sand, Sebastian Engell, Michael Emmerich, Lutz Schönemann

Adaptive optimization of noisy black-box functions inherent in microscopic models Original Research Article
Pages 193-198
Eddie Davis, Aditya Bindal, Marianthi Ierapetritou

On-line optimization applied to large scale plants Original Research Article
Pages 199-204
Claudia J.G. Vasconcelos, Rubens Maciel Filho, Renato Spandri, Maria R. Wolf-Maciel

Optimisation of integrated gasification combined cycles in refineries Original Research Article
Pages 205-210
C. Navarro, Zhigang Shang, H. Wei

Multi-objective optimization of an industrial isoprene production unit by using genetic algorithm approach Original Research Article
Pages 211-216
Rita M.B. Alves, Claudio A.O. Nascimento, Luiz V. Loureiro, Pascal Floquet, Xavier Joulia

Prediction of solubilities of complex medium-sized chemicals. Solutes in pure solvents, mixed solvents and cosolvent mixtures Original Research Article
Pages 217-222
J. Abildskov, J.P. O'Connell

Numerical analysis of higher-order singularities in complex chemical process models in ProMoT Original Research Article
Pages 223-228
Michael Krasnyk, Martin Ginkel, M. Mangold, Achim Kienle

A dynamic approach to the dimension reduction of chemical kinetic schemes Original Research Article
Pages 229-234
H. Huang, M. Fairweather, A.S. Tomlin, J.F. Griffiths, R.B. Brad

New approaches for representing, analyzing and visualizing complex kinetic mechanisms Original Research Article
Pages 235-240
Ioannis P. Androulakis

A kinetic generator of hydrocarbon pyrolysis mechanisms Original Research Article
Pages 241-246
Sauro Pierucci, Eliseo Ranzi, Mario Dente, Simon Barendregt

An adaptive reduction scheme to develop flexible reduced chemistry models for reactive flow simulations Original Research Article
Pages 247-252
Ipsita Banerjee, Marianthi G. Ierapetritou

Simulation of o-xylene oxidation into phthalic anhydride: Rigorous multitubular catalytic reactor modelling and exportation into the process flowsheet Original Research Article
Pages 253-258
J.A. Jara, A. Garea, J.A. Irabien

CFD modelling and divergence criterion for safety of chemical reactors Original Research Article
Pages 259-264
Aleksandra Milewska, Leszek Rudniak, Eugeniusz Molga

Process modelling goals: concepts, structure and development Original Research Article
Pages 265-270
Ian T. Cameron, Eric S. Fraga, I.D.L. Bogle

Computer-aided modelling: A study on the dynamic flash Original Research Article
Pages 271-276
Heinz A Preisig

Identifying equations that represent properties in homologous series using structure-structure relations Original Research Article
Pages 277-282
Georgi St. Cholakov, Roumiana P. Stateva, Mordechai Shacham, Neima Brauner

CAPE-OPEN consultancy scheme Original Research Article
Pages 283-288
Michel E. Pons

An environment for the development of operator training systems (OTS) from chemical engineering models Original Research Article
Pages 289-293
Volker C. Hass, Florian Kuhnen, K.-M. Schoop

Techno-economic modelling and cost functions of CO2 capture processes Original Research Article
Pages 295-300
Jiri Klemes, Igor Bulatov, Tim Cockerill

Dynamic simulator for dosing of water treatment chemicals Original Research Article
Pages 301-306
Iiris Joensuu, Marjatta Piironen, Esko Juuso

Dynamic model of MAb production and glycosylation for the purpose of product quality control Original Research Article
Pages 307-312
Cleo Kontoravdi, Steven P. Asprey, Stratos Pistikopoulos, Athanasios Mantalaris

Modelling and validated simulation of solvent-gradient simulated moving bed (SG-SMB) processes for protein separation Original Research Article
Pages 313-318
Wekenborg Klaus, Susanto Arthur, Schmidt-Traub Henner

Modelling of vinylidene fluoride emulsion polymerization Original Research Article
Pages 319-324
P. Pladis, A.H. Alexopoulos, J. Bousquet, C. Kiparissides

Modelling and simulation of porous, reactive particles in liquids: delignification of wood Original Research Article
Pages 325-330
Tapio Salmi, Johan Wärn, J.-P. Mikkola, Mats Rönnholm

Fluid separation modelling in the columns equipped with structured packings using the hydrodynamic analogy Original Research Article
Pages 331-336
A. Shilkin, E.Y. Kenig

Development and validation of a dynamic complex model for ammonia removal by gas-phase biofiltration Original Research Article
Pages 337-342
Guillermo Baquerizo, Xavier Gamisans, David Gabriel, Javier Lafuente

Optimization by stage-wise model for complex industrial heat exchanger network Original Research Article
Pages 343-348
Anita Kovaĉ Kralj, Peter Glaviĉ

A numerical experiment design study on a biodiesel production process Original Research Article
Pages 349-354
Gaia Franceschini, Sandro Macchietto

To enable a better CAPE: the EU SAFEKINEX project Original Research Article
Pages 355-360
Hans J. Pasman, Andrzej A. Pekalski, Martin Braithwaite

Simulation of acement plant using thermochemical and flow simulation tools Original Research Article
Pages 361-366
Tobias Ginsberg, Dorothea Liebig, Michael Modigell, Klaus Hack, Safwan Yousif

A numerical case study of packed columns Original Research Article
Pages 367-372
R. Caulkin, M. Fairweather, X. Jia, R.A. Williams

A polynomial repro-model applied to propane cracking Original Research Article
Pages 373-378
R.B. Brad, M. Fairweather, A.S. Tomlin, J.F. Griffiths

Validation of a model of dilute two-phase, gas-solid turbulent flows Original Research Article
Pages 379-384
M. Fairweather, J.-P. Hurn

Study of an influence of the parameters on multiplicity of steady states in the recycle system: Reactor-separating unit Original Research Article
Pages 385-390
Anatolij Boyarinov, Stanislav Duev

Fuzzy uncertainty analysis in system modelling Original Research Article
Pages 391-396
Vikas Kumar, Marta Schuhmacher

Observability matrix condition number in design of measurement strategies Original Research Article
Pages 397-402
JA Wilson, SY Guhe

An ASCEND library for the modeling, simulation and optimization of solvent extraction for metal recovery Original Research Article
Pages 403-408
Edelmira D. Gálvez, Ross E. Swaney, Cándice M. Malatesta, Luis A. Cisternas

Dynamic behaviour and control of an industrial fluidised-bed polymerisation reactor Original Research Article
Pages 409-414
Nina P.G. Salau, Argimiro R. Secchi, Jorge O. Trierweiler, Gustavo A. Neumann

Three-phase distillation in packed towers: Short-cut modelling and parameter tuning Original Research Article
Pages 415-420
Olivier Villain, Richard Faber, Pu Li, Jens-Uwe Repke, Günter Wozny

The escape time of small heavy particles from a 3D vortex Original Research Article
Pages 421-426
U. Sánchez, M.J. Moreno-López

Dynamic evolution of the particle size distribution in multistage olefin polymerization reactors Original Research Article
Pages 427-432
Georgios Dompazis, Abraham Roussos, Vassileios Kanellopoulos, Costas Kiparissides

Solution of the Bi-variate dynamic population balance equation in batch particulate systems Original Research Article
Pages 433-438
A.H. Alexopoulos, C. Kiparissides

Design and operation of copolymerisation reactors through modelling and nonlinear analysis Original Research Article
Pages 439-444
Teresa Lopez-Arenas, Mauricio Sales-Cruz, Rafiqul Gani

Development of a software to simulate free radical polymerization of linear and branched polymer using mono- and Bi- functional initiators Original Research Article
Pages 445-450
Paula F. de M.P.B. Machado, Liliane M.F. Lona

Modelling the two-stage pyrolysis gasoline hydrogenation Original Research Article
Pages 451-456
Navid Mostoufi, Mohammad Ahmadpour, Rahmat Sotudeh-Gharebagh

Evaluation of nanofiltration processes for brackish water treatment using the DSPM model Original Research Article
Pages 457-462
José M. Gozálvez-Zafrilla, Beatriz Gómez-Martínez, Asunción Santafé-Moros

Model discrimination and selection in evolutionary optimization of batch processes with tendency models Original Research Article
Pages 463-468
Ernesto C. Martínez

Simulation of heavy-oil thermal cracking process on the basis of carbon number-based component approach Original Research Article
Pages 469-474
Xiangping Zhang, Long Yan, Guangren Yu, Suojiang Zhang, Wenbin Dai

Simulation of a novel strategy for improving a biological phosphorus removal system start-up Original Research Article
Pages 475-480
Albert Guisasola, Maite Pijuan, Juan A. Baeza, Julián Carrera, Carles Casas, Javier Lafuente

Formulation and comparison of alternative multiscale models for drum granulation Original Research Article
Pages 481-486
Gordon D. Ingram, Ian T. Cameron

Dynamic simulator for evaluation of safety objects in batch process Original Research Article
Pages 487-492
D. Rizal, S. Tani, K. Nishiyama, K. Suzuki

Dynamic modelling and simulation of lactose cooling crystallisation: from batch and semi-batch to continuous operations Original Research Article
Pages 493-498
Linh T.T. Vu, Rosalie J. Durham, James A. Hourigan, Robert W. Sleigh

Rigorous dynamic simulation and optimization for FCCU absorption-stabilization system Original Research Article
Pages 499-504
Qi Pan, Enxi Lu, Juanjuan Li

A molecular-based equation of state for process engineering Original Research Article
Pages 505-510
Lourdes F. Vaga, Josep C. P`mies, Fèlix Llovell, Carmelo Herdes, Daniel Duque, Rosa M. Marcos

Diabatic distillation—Comments on the influence of side streams Original Research Article
Pages 511-516
Ingela Niklasson Björn, Urban Grén, Alfie P. Soermardji

Modeling and prediction of cell population dynamics Original Research Article
Pages 517-522
Youngil Lim

Prediction of folding type of proteins using mixed-integer linear programming Original Research Article
Pages 523-528
Metin Türkay, Fadime Üney, Özlem Yilmaz

A mechanistic approach to delayed coking modelling Original Research Article
Pages 529-534
Giulia Bozzano, Mario Dente

Prediction-based diagnosis and loss prevention using qualitative multi-scale models Original Research Article
Pages 535-540
E. Németh, R. Lakner, K.M. Hangos, I.T. Cameron

A dynamic spherical agglomerate model for proton exchange membrane fuel cells (PEMFC) Original Research Article
Pages 541-546
R. Madhusudana Rao, R. Rengaswamy

Modelling and simulation of crystallization processes in a FC-crystallizer Original Research Article
Pages 547-552
Maria I. Karpunina, A. Lieb, M. Kind, Eleonora M. Koltsova

A three-phase fluidized bed anaerobic biofilm reactor model for treating complex substrates Original Research Article
Pages 553-558
Mauren Fuentes, Miguel C. Mussati, Pío A. Aguirre, Nicolás J. Scenna

Concurrent engineering reactor design Original Research Article
Pages 559-564
Antonio Carlos Papes Filho, Rubens Maciel Filho

Dynamic models towards operator and engineer training: Virtual environment Original Research Article
Pages 565-570
Claudia J.G. Vasconcelos, Rubens Maciel Filho, Renato Spandri, Maria R. Wolf-Maciel

A multi-level programming optimization approach to enterprise-wide supply chain planning Original Research Article
Pages 571-576
Junhyung Ryu

Exploring classifiability metrics for selecting informative genes Original Research Article
Pages 577-582
James Wu, Ioannis P. Androulakis

Reactive distillation modelling and sensitivity analysis based on NEQ model Original Research Article
Pages 583-588
D. Rouzineau, M. Meyer, M. Prevost, X. Meyer, J.M. Reneaume

Mechanistic dynamic modelling of an industrial FCC Unit Original Research Article
Pages 589-594
Joana Fernandes, Jan J. Verstraete, Carla C. Pinheiro, Nuno Oliveira, F. Ramôa Ribeiro

Semi-empirical process modelling with integration of commercial modelling tools Original Research Article
Pages 595-600
G. Schopfer, O. Kahrs, W. Marquardt, M. Warncke, T. Mrziglod, A. Schuppert