Prof Claire S. Adjiman FREng

Haslam AJ, von Solms N, Adjiman CS, Galindo A, Jackson G, Paricaud P, Michelsen ML, Kontogeorgis GMet al., 2006, Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR, FLUID PHASE EQUILIBRIA, Vol: 243, Pages: 74-91, ISSN: 0378-3812

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• Citations: 32

Sheldon TJ, Folic M, Adjiman CS, 2006, Solvent design using a quantum mechanical continuum solvation model, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, Vol: 45, Pages: 1128-1140, ISSN: 0888-5885

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• Citations: 14

Haslam AJ, Moen Ø, Adjiman CS, Galindo A, Jacksona Get al., 2006, Chapter 5 Design of polyolefin reactor mixtures, Vol: 22, Pages: 301-332, ISSN: 1570-7946

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• Citations: 1

Lo BP, Haslam AJ, Adjiman CS, Laso Met al., 2006, Chapter 3 A method for the systematic estimation of parameters for a stochastic reptation model, Vol: 22, Pages: 69-83, ISSN: 1570-7946

A parameter estimation algorithm for the thermodynamically consistent reptation model (Öttinger, 1999; Fang et al., 2000), which is based on stochastic differential equations, is proposed. The problem is formulated using the maximum likelihood (MLE) objective function, and a modified Levenberg-Marquardt algorithm is developed for its solution. Stochastic sensitivity equations are derived and used in order to obtain reliable parameter estimates. The issue of computational efficiency is addressed by varying the number of ensembles used in the integration of model based on the proximity of the current iterate to the optimal solution, as quantified by the magnitude of the trust region radius. The algorithm is applied to data for a sample of LDPE, to estimate mesoscale polymer properties from measurements of shear viscosity. © 2006 Elsevier B.V. All rights reserved.

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Sheldon TJ, Giner B, Adjiman CS, Galindo A, Jackson G, Jacquemin D, Wathelet V, Perpete EAet al., 2006, The derivation of size parameters for the SAFT-VR equation of state from quantum mechanical calculations, MULTISCALE MODELLING OF POLYMER PROPERTIES, Vol: 22, Pages: 143-159, ISSN: 1570-7946

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• Citations: 8

Lo BP, Haslam AJ, Adjiman CS, 2006, A method for the systematic estimation of parameters for a stochastic reptation model, Computer-Aided Chemical Engineering; Multiscale Modelling of Polymer Properties, Editors: Laso, Perpète, Amsterdam, Publisher: Elsevier, Pages: 69-84, ISBN: 978-0-444-52187-3

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Keskes E, Adjiman CS, Galindo A, Jackson Get al., 2006, Integrating Advanced Thermodynamics and Process and Solvent Design for Gas Separation, 16TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING AND 9TH INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING, Vol: 21, Pages: 743-748, ISSN: 1570-7946

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• Citations: 1

Haslam AJ, Moen Ø, Adjiman CS, Galindo A, Jackson Get al., 2006, Design of polyolefin reactor mixtures, Computer Aided Chemical Engineering; Multiscale Modelling of Polymer Properties, Editors: Laso, Perpète, Amsterdam, Publisher: Elsevier, Pages: 301-332, ISBN: 978-0-444-52187-3

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Folic M, Adjiman CS, Pistikopoulos EN, 2006, A computer-aided methodology with robust design criteria for selection of solvents for reactions, Joint Conference Event of the 9th Symposium on Process Systems Engineering (PSE 2006)/16th European Symposium on Computer Aided Process Engineering (ESCAPE-16), Publisher: ELSEVIER SCIENCE BV, Pages: 787-792, ISSN: 1570-7946

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• Citations: 3

Blanco Gutierrez RF, Pantelides CC, Adjiman CS, 2006, Risk analysis and robust design under technological uncertainty, Joint Conference Event of the 9th Symposium on Process Systems Engineering (PSE 2006)/16th European Symposium on Computer Aided Process Engineering (ESCAPE-16), Publisher: ELSEVIER SCIENCE BV, Pages: 191-196, ISSN: 1570-7946

Technological innovation in process design often leads to increased technological risk arising from incomplete knowledge. We propose a systematic approach to manage this risk using mathematical models that are sufficiently detailed to quantify risk. Global sensitivity analysis is used to determine the complete probability distributions for the key performance indicators of the process, thereby allowing informed decisions to be taken regarding the acceptability of the risk inherent in a given design. It also produces global sensitivity indices which allow the identification of the critical uncertain parameters on which additional R&D needs to be focused if the risk is deemed to be unacceptably high. If the risk is acceptable, then scenario-based approximation is used to handle the residual uncertainty in the critical parameters. Issues regarding the robust and efficient solution of problems involving large numbers of scenarios based on nonlinear models with thousands of variables are considered. The methodology is demonstrated via a case study concerning the design of a catalytic tubular reactor.

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Pereira Lo B, Haslam AJ, Adjiman CS, 2006, Parameter estimation for stochastic differential equations: algorithm and application to polymer melt rheology, 16th European Symposium on Computer-Aided Process Engineering

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Gutierrez RFB, Adjiman C, Pantelides CC, 2005, Managing technological risk in process design using detailed models, AIChE Annual Meeting, Conference Proceedings, Pages: 7000-7001

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Lo BP, Haslam AJ, Adjiman CSJ, 2005, Parameter estimation for stochastic differential models: Application to a model of polymer rheology, AIChE Annual Meeting, Conference Proceedings

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Folic M, Adjiman CS, Pistikopoulos EN, 2005, A computer-aided methodology for solvent selection for reactions: Robust design formulation, AIChE Annual Meeting, Conference Proceedings, Pages: 7191-7192

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Aguiar P, Adjiman CS, Brandon NP, 2005, Anode-supported intermediate-temperature direct internal reforming solid oxide fuel cell - II. Model-based dynamic performance and control, JOURNAL OF POWER SOURCES, Vol: 147, Pages: 136-147, ISSN: 0378-7753

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• Citations: 216

Papamichail I, Adjiman CS, 2005, Proof of convergence for a global optimization algorithm for problems with ordinary differential equations, JOURNAL OF GLOBAL OPTIMIZATION, Vol: 33, Pages: 83-107, ISSN: 0925-5001

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• Citations: 7

Iora P, Aguiar P, Adjiman CS, Brandon NPet al., 2005, Comparison of two IT DIR-SOFC models: Impact of variable thermodynamic, physical, and flow properties. Steady-state and dynamic analysis, CHEMICAL ENGINEERING SCIENCE, Vol: 60, Pages: 2963-2975, ISSN: 0009-2509

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• Citations: 107

Sheldon TJ, Adjiman CS, Cordiner JL, 2005, Pure component properties from group contribution: Hydrogen-bond basicity, hydrogen-bond acidity, Hildebrand solubility parameter, macroscopic surface tension, dipole moment, refractive index and dielectric constant, FLUID PHASE EQUILIBRIA, Vol: 231, Pages: 27-37, ISSN: 0378-3812

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• Citations: 33

Folic M, Adjiman CS, Pistikopoulos EN, 2005, A computer-aided methodology for optimal solvent design for reactions with experimental verification, European Symposium on Computer-Aided Process Engineering-15, Publisher: Elsevier Science Bv, Pages: 1651-1656

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Folic M, Adjiman CS, Pistikopoulos EN, 2005, A computer-aided methodology for optimal solvent design for reactions with experimental verification, European Symposium on Computer-Aided Process Engineering-15, Publisher: Elsevier Science Bv, Pages: 1651-1656

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Oulton RF, Adjiman CS, Handa K, Aramaki Set al., 2005, Enhancement of optical extraction from OLEDs using scattering layers, Bellingham, Conference on organic photonic materials and devices VII, San Jose, CA, 24 - 26 January 2005, Publisher: Spie-Int Society Optical Engineering, Pages: 191-201

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Omosun AO, Bauen A, Brandon NP, Adjiman CS, Hart Det al., 2004, Modelling system efficiencies and costs of two biomass-fuelled SOFC systems, JOURNAL OF POWER SOURCES, Vol: 131, Pages: 96-106, ISSN: 0378-7753

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• Citations: 142

Papamichail I, Adjiman CS, 2004, Global optimization of dynamic systems, COMPUTERS & CHEMICAL ENGINEERING, Vol: 28, Pages: 403-415, ISSN: 0098-1354

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• Citations: 58

Folić M, Adjiman CS, Pistikopoulos EN, 2004, The design of solvents for optimal reaction rates, Computer Aided Chemical Engineering, Publisher: Elsevier, Pages: 175-180

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Giovanoglou A, Adjiman CS, Galindo A, Jackson Get al., 2004, Phase stability and equilibrium calculations in binary mixtures, AIChE annual meeting, Austin, Texas, November 2004

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Aguiar P, Adjiman CS, Brandon NP, 2004, Supported direct internal reforming solid oxide fuel cell to load changes, 15th European symposium on computer-aided process engineering, May 2004

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Aguiar P, Adjiman CS, Galindo A, Jackson Get al., 2004, Supported direct internal reforming solid oxide fuel cell to load changes, 14th European symposium on computer-aided process engineering, May 2004

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Blanco-Gutierrez R, Adjiman CS, Pantelides CC, 2004, Managing technological risk in process design and retrofit using detailed process models, AIChE annual meeting, Austin, Texas, November 2004

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Aguiar P, Adjiman CS, Brandon NP, Leah Ret al., 2004, Dynamic simulation of an IT-SOFC 5 kW system, AIChE annual meeting, Austin, Texas, November 2004

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Adjiman CS, 2004, Optimal solvent selection from the quantum scale to the process scale (Invited lecture/seminar), Department of Chemical Engineering, Herriot-Watt University, 21 January 2004 and Bristol Myers Squibb, New Jersey, USA, 15 July 2004

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