For further information,
please contact:

Trudie Stroud
PSE Academic

Process Systems Enterprise
6th Floor East
26-28 Hammersmith Grove
London W6 7HA United Kingdom

t: +44 (0)20 8563 0888
f: +44 (0)20 8563 0999
e: academic@psenterprise.com

PSE Academic publication list

Polymerisation Processes

Asteasuain M., Brandoni A. (2009). High-Pressure Polymerization of Ethylene in Tubular Reactors: A Rigorous Dynamic Model Able to Predict the Full Molecular Weight Distribution, Macromolecural Reaction Engineering, 3, 398-411.
Chatzidoukas C., Pistikopoulos S., Kiparissides C. (2009). A Hierarchical Optimization Approach to Optimal Production Scheduling in an Industrial Continuous Olefin Polymerization Reactor. Macromolecular Reaction Engineering, 3, 34-46.
Van Brempt W.,Backx T., Ludlage J., Van Overschee P. (2001). Optimal Trajectories for grade change control: application on a polyethylene gas phase reactor.Proceedings of the 2003 American Control Conference, 2003. 5411- 5416 vol.6
Asteasuain M., Brandolin A. (2008). Modeling and optimization of a high-pressure ethylene polymerization reactor using gPROMS. Computers & Chemical Engineering, 32, 3, 396-408
Alhamad B., Romagnoli J.A., Gomes V.G. (2005). On-line multi-variable predictive control of molar mass and particple size distributions in free-radical emulsion copolymerisation. Chemical Engineering Science, 60, 23, 6596-6605.
Alhamad B., Willis R., Romagnoli J., V Gomes V. A model based framework for online MPC control of emulsion copolymerization of styrene and MMA. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Asteasuain M., Tonelli S.M., Brandolin A., Bandoni J.A. (2001). Dynamic simulation and optimisation of tubular polymerisation reactors in gPROMS. Computers & Chemical Engineering, 25, 4-6, 509-515.
Asteasuain M., Brandolin A., Sarmoria C., Bandoni A. (2004). Simultaneous design and control of a semibatch styrene polymerization reactor. Industrial & Engineering Chemistry Research, 43, 17, 5233-5247.
Chatzidoukas C., Perkins J.D., Pistikopoulos E.N., Kiparisides C. (2003). Optimal grade transition and selection of closed-loop controllers in a gas-phase olefin polymerization fluidized bed reactor, Chemical Engineering Science, 58, 16, 3643-3658.
Gomes V., Chew R., Alhamad B., Romagnoli J. Intelligent Monitoring and Diagnostic System for Semi-Batch Emulsion Copolymerisation. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Heath A.R., Koh P.T.L. (2003). Combined Population Balance and CFD modelling of particle aggregation by polymeric flocculant. Third international Conference on CFD in the Minerals and Process Industries, CSIRO, Melbourne Australia, 10-12 December 2004, 339-345.
Kotoulas C., Pladis P., Papadopoulos E., Kiparissides C. Computer aided design of styrene batch suspension polymerization reactors. European Symposium on Computer Aided Process Engineering - 13 Editors: Kraslawski A, Turunen I, Computer-Aided Chemical Engineering, 14, 173-178, 2003.
Novakovic K., Martin E.B., Morris A.J. Modelling of the free radical polymerization of styrene with benzoyl peroxide as initiator, European Symposium on Computer Aided Process Engineering - 13, Editors: Kraslawski A., Turunen I. Computer-Aided Chemical Engineering 14, 815-820, 2003.
Zeaiter J., Bakhtazad A., Romagnoli J.A., Barton G.W. Gomes V.G. (2002). The role of wave-net models in emulsion polymerization. Powder Technology, 124, 3, 212-218.
Zeaiter J., Romagnoli J.A., Barton G.W., Gomes V.G. On-line optimal control of particle size distribution in emulsion polymerisation, European Symposium on Computer Aided Process Engineering - 13 - 12, Editors: Grievink J, VanSchijndel J, Computer-Aided Chemical Engineering 10, 607-612, 2002.

Reactive separation processes

Almeida-Rivera C.P. Grievink J. (2008). Process design approach for Reactive Distillation using economics, exergy and responsiveness optimisation Industrial Engineering Chemistry Research, 47, 51-65
Almeida-Rivera C.P., Swinkels P.L.J., Grievink J. Economics and exergy efficiency in the conceptual design of reactive distillation processes, in Proc. 6th International Conf. on Foundations of Computer Aided Process Design, CACHE Publications, 2004, 237-240.
Dalaouti N., Seferlis P. (2005). Design sensitivity of reactive absorption units for improved dynamic performance and cleaner production: the Nox removal process. Journal of Cleaner Production, 13, 15, 1461-1470.
Fernholz G., Engell S., Kreul L., Gorak A., (2000). Optimal operation of a semi-batch reactive distillation. Computers & Chemical Engineering, 24, 1569-1575.
Peng J.J., Edgar T.F., Eldridge R.B. (2003). Dynamic rate-based and equilibrium models for a packed reactive distillation column, Chemical Engineering Science, 58, 12, 2671-2680.
Reepmeyer F., Repke J.U., Wozny G. (2003). Analysis of the start-up process for reactive distillation, Chemical Engineering & Technology, 26, 1, 81-86.
Xu Y.Q., Zheng Y.X., Ng F.T.T., Rempel G.L. (2005). A three-phase nonequilibrium dynamic model for catalytic distillation. Chemical Engineering Science, 60, 20, 5637-5647.

Crystallisation Processes

Parisi M., Terranova A., Chianese A. (2007). Pilot plant investigation on the kinetics of dextrose cooling crystallization. Industrial Engineering Chemistry Research, 46, 4, 1277-1285 Ali M.I. (2007) Struvite crystallization in fed-batch pilot scale and description of solution chemistry of struvite. Chemical Engineering Research and Design, 85, A3, 344-356.

Pressure swing adsorption

Nikolic D., Kikkinides E.S., Georgiadis M.C. Optimization of Multibed Pressure Swing Adsorption Processes (2009). Industrial & Engineering Chemistry Research, 48, 5388-5398
Huang Q.L., Malekian A., Eic M. (2008). Optimization of PSA process for producing enriched hydrogen from plasma reactor gas. Separation and Purifications Technology, 62, 22-31.
Nikolic D., Giovanoglou A., Georgiadis M.C., Kikkinides, E.S. (2008). Generic modeling framework for gas separations using multibed pressure swing adsorption processes. Industrial Engineering Chemistry Research, 47, 9, 3156-3169.
Ahn H., Brandoni S. (2005). Analysis of breakthrough dynamics in rectangular channels of arbitrary aspect ratio, To appear in AIChE Journal, 51, 7.
Grande C.A., Rodrigues A.E. (2005). Propane/propylene separation by pressure swing adsorption using zeolite 4A. Industrial & Engineering Chemistry Research, 44, 23, 8815-8829.
Kim M., Moon J., Lee C., Ahn H., Cho W. (2004). Effect of Heat Transfer on the Transient Dynamics of Temperature Swing Adsorption Process, Korean J. Chem. Eng., 21, 3, 703-722.
Knaebel S.P., Ko D.H., Biegler L.T. (2005). Simulation and optimisation of a pressure swing adsorption system. Recovering hydrogen from methane. Adsorption-Journal of the International Adsorption Society, 11, S1, 615-620.
Ko D., Siriwardane R., Biegler L.T. (2003). Optimization of a pressure-swing adsorption process using zeolite 13X for CO2 sequestration. Industrial & Engineering Chemistry Research, 42, 2, 339-348.
Nilchan S., Pantelides C.C. (1998). On the optimisation of periodic adsorption processes, Adsorption-Journal of the International Adsorption Society, 4, 2, 113-147.

Chromatographic separation systems

Chan S., Titchener-Hooker N., Bracewell D.G., Sorensen E. (2008). A systematic approach for modeling chromatographic processes - Application to protein purification. AICHE Journal, 54, 4, 965-977.
Choi Y.J. , Han S.K., Chung S.T., Row K.H. (2007). Separation of racemic bupivacaine using simulated moving bed with mathematical model. Biotechnology and Bioprocess Engineering, 12, 6, 625-633.
Gomes P.S., Leao C.P., Rodrigues A.E. (2007). Simulation of true moving bed adsorptive reactor: Detailed particle model and linear driving force approximations. Chemical Engineering Sciencev, 62, 4, 1026-1041.
Gomes P. Minceva M., Rodrigues A.E. (2008). Operation of an Industrial SMB Unit for p-xylene Separation accounting for Adsorbent Ageing Problems. Separation Science and Technology, 1974-2002
Mota Joao J.P.B. Araujo M.M. Rodrigues R.C.R. (2006). Use of Single-Column Models for Efficient Computation of the Periodic State of a simulated moving-bed process. Industrial Engineering Chemistry Research, 45, 5314-5325.
Araujo J.M.M., Rodrigues R.C.R., Mota J.P.B. (2006). Optimal design and operation of a certain class of asynchronous simulated moving bed processes. Journal of Chromatography A., 1132, 1-2, 76-89.
Minceva M., Pais L.S., Rodrigues A.E. (2003). Cyclic steady state of simulated moving bed processes for enantiomers separation. Chemical Engineering and Processing, 42, 2, 93-104.
Teoh H.K., Sorensen E., Titchener-Hooker (2003). Optimal operating policies for closed-loop recycling HPLC Processes, Chem. Engineering Science, 58, 18, 4145-4158.
Teoh H.K., Turner M., Titchener-Hooker N., Sorensen E. (2001). Experimental verification and optimisation of a detailed dynamic high performance liquid chromatography column model, Computers & Chemical Engineering, 25, 4-6, 893-903

Membrane-based separations

Alonso A.I., Galan B., Gonzalez M., Ortiz I. (1999). Experimental and theoretical analysis of a nondispersive solvent extraction pilot plant for the removal of Cr(VI) from a galvanic process wastewaters, Industrial & Engineering Chemistry Research, 38, 4, 1666-1675.
Alonso A.I., Pantelides C.C. (1996). Modelling and simulation of integrated membrane processes for recovery of Cr(VI) with Aliquat 336, Journal of Membrane Science, 110, 2, 151-167.
Antonio G.A., Sorensen E., Papageorgiou L.G., Guadix E.M. (2004). Optimal design and operation of continuous ultrafiltration plants. Journal of Membrane Science, 235, 1-2, 131-138.
Daviou M.C., Hoch P.M., Eliceche A.M., Ortiz I. Synthesis of membrane modules in hybrid distillation/pervaporation processes. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Marriott J.I., Sorensen E., Bogle I.D.L. (2001). Detailed mathematical modelling of membrane modules, Computers & Chemical Engineering, 25, 4-6, 693-670.
Vareltzis, P., Kikkinides, E.S. Georgiadis M.C. (2003) "Modelling and Optimisation of Zeolite Membranes for Gas Separations", Chem. Eng. Res. Des., 30, Part A, 525-536

Other complex separation systems

Lee C.H., Moon J.H. (2007). Hydrogen Separation of Methyltriethoxysilane Templating Silica Membrane. AIChE Journal, 53, 3125-3136
Abbas A., Romagnoli J. A modelling environment for the advanced operation of crystallisation processes Process Systems Engineering 2003, PTS A AND B, Editors: Chen B., Westerberg A.W., Computer-Aided Process Engineering, 15, 1250-1255, 2003.
Bravi M., Bubbico R., Manna F., Verdone N. (2002). Process optimisation in sunflower oil extraction by supercritical CO2. Chemical Engineering Science, 57, 14, 2753-2764.
Dunnebier G., Pantelides C.C. (1999). Optimal design of thermally coupled distillation columns, Industrial & Engineering Chemistry Research, 38, 1, 162-176.
Escalante H., Alonso, A.I., Ortiz I., Irabien A. (1999).Separation of L-Phenylalanine by Nondispersive Extraction and Backextraction. Equilibrium and Kinetic Parameters, Sep. Sci. Tech. 33, 1, 119-139.
Gonzalez B., Ortiz I. (2002). Modelling and simulation of a hybrid process (pervaporation-distillation) for the separation of azeotropic mixtures of alcohol-ether. Journal of Chemical Technology and Biotechnology, 77, 1, 29-42.
Gonzalez B., Ortiz I. (2001). Modelling and Simulation of a hybrid process (pervaporation-distillation) for the separation of azeotropic mixtures of alcohol-ether. J. Chem. Technol. Biotechnol., 77 29-42.
Hoch P.M., Daviou M.C., Eliceche A.M. (2003). Optimisation of the operating conditions of azeotropic distillation columns with pervaporation membranes. Latin American Applied Research, 33, 177-183.
Kougoulos E., Jones A.G., Wood-Kaczmar M.W. (2006). Process modelling tools for continuous and batch organic crystallization processes including application to scale-up. Organic Process Research & Development, 10, 4, 739-750.
Kramer H.J.M., Bermingham S.K., van Rosmalen G.M. (1999). Design of industrial crystallisers for a given product quality, J. Crystal Growth. 199, (Pt. 1), 729-737.
Matsuda K., Huang K., Nakaiwa M., et al. (2006). Simulation of ternary distillation in a heat integrated distillation column (HIDiC) with a rate-based model. Journal of the Chinese Institute of Chemical Engineers, 37, 5, 467-474.
Neumann A.M., Bermingham S.K., Kramer H.J.M., van Rosmalen G.M. (1999). The effect of the impeller speed on the product crystal size distribution (CSD) in a 22 liter draft tube (DT) crystallizer, J. Crystal Growth. 199 (Pt. 1), 723-728.
Repke J.U., Klein A, Forner F. Homogeneous azeotropic distillation in an energy- and mass-integrated pressure swing column system, European Symposium on Computer Aided Process Engineering - 14, Editors: Barbosa-Povoa A.P, Matos H., Computer-Aided Process Engineering, 18, 757-762, 2004.
Smith E.M.B., Pantelides C.C. (1995). Design of reaction separation networks using detailed models, Computers & Chemical Engineering, 19, S83-S88.
Xu Y.Q., Ng F.T.T., Rempel G.L. (2005). Comparison of a pseudo-homogeneous non-equilibrium dynamic model and a three-phase non-equilibrium dynamic model for catalytic distillation, Industrial and Engineering Chemistry Research, 44, 16, 6171-6180.
Yongsunthon I., Alpay E. (1999). Design of periodic adsorptive reactors for the optimal integration of reaction, Separation and Heat Exchange, Chem. Eng. Sci. 54, 13-14, 2647-2657.

Heat and power systems

Nakajo A, Wuillemin Z., Van Herle J., Favrat G. (2009). Simulation of thermal stresses in anode-supported solid oxide fuel cell stacks. Part I: Probability of failure of the cells. Journal of Power Sources, 193, 203-215.
Nakajo A, Wuillemin Z., Van Herle J., Favrat G. (2009). Simulation of thermal stresses in anode-supported solid oxide fuel cell stacks. Part II: Loss of gas-tightness, electrical contact and thermal buckling. Journal of Power Sources, 193, 203-215.
Krokos C.A., Nikolic D., Kikkinides E.S., Georgiadis, M.C. Stubos A.K. (2009). Modeling and optimization of multi-tubular metal hydride beds for efficient hydrogen storage. International Journal of Hydrogen Energy, 34, 9128-9140.
Georgiadis M.C., Kikkinides E.S., Makridis S.S., Kouramas, K., Pistikopoulos, E.N. (2009). Title: Design and optimization of advanced materials and processes for efficient hydrogen storage. Computers and Chemical Engineering, 33, 1077-1090
Thorud B. Bolland O., Kandepu R. Imsland L., Stiller C. (2006). Control Strategy for solid oxide fuel cell and gas turbine hybrid system. Journal of Power Sources, 158, 303-315.
Aguiar P., Adjiman C.S., Brandon N.P. (2004). Anode-suorted intermediate temperature direct internal reforming solid oxide fuel cell. I: model-based steady-state performance. Journal of Power Sources, 138, 120-136.
Iora P., Aguiar P., Adjiman C.S., Brandon N.P. (2005). Comparison of two IT DIR-SOFC models: Impact of variable thermodynamic, physical, and flow properties. Steady-state and dynamic analysis. Chemical Engineerng Science, 60, 11, 2963-2975.
Kawajiri Y., Biegler L.T. (2006). Optimization strategies for simulated moving bed and PowerFeed processes. AIChE Journal, 52, 4, 1343-1350.
Kikkinides E.S., Georgiadis M.C., Stubos A.K. (2006). On the optimization of hydrogen storage in metal hydride beds. International Journal of Hydrogen Energy, 31, 6, 737-751.
Kikkinides E.S., Georgiadis M.C., Stubos A.K. (2006). Dynamic modelling and optimization of hydrogen storage in metal hydride beds. Energy, 31, 13, 2092-2110.
Kikkinides E.S., Konstantakou M., Georgiadis M.C., Stergiotis T.A., Stubos A.K.. (2006). Multiscale modeling and optimization of H-2 storage using nanoporous adsorbents. AIChE Journal, 52, 8, 2964-2977.
Konstantakou M., Georgiadis M.C., Kikkinides E.S., Stubos A.K. Multiscale modelling and optimization of hydrogen storage systems using advanced solid materials. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Omosun A.O., Bauen A., Brandon N.P., Adjiman C.S., Hart D. (2005). Modelling system efficiencies and costs of two biomass-fuelled SOFC systems. Journal of Power Sources, 131, 1-2, 96-106.
Mazumder S.K., Acharya K., Haynes C.L., Williams R., von Spakovsky M.R., Nelson D.J., Rancruel D.F., Hartvigsen J., Gemmen R.S. (2004). Solid-oxide-fuel-cell performance and durability: resolution of the effects of power-conditioning systems and application loads. IEEE Transactions on Power and Electronics, 19, 5 1263-1269.
Moita R.D., Matos H.A., Fernandes C., Nunes C.P., Prior J.M. (2005). Dynamic Modelling and Simulation of a cogeneration system integrated with a salt recrystallisation process, Computers & Chemical Engineering, 29, 6, 1491-1505.
Varigonda S., Kamat M. (2006). Control of stationary and transportation fuel cell systems: Progress and opportunities. Computers & Chemical Engineering, 30 10-12, 1735-1748.

Batch processes

Edreder E.A., Mujtaba I.M., Emtir, M. (2009). Optimisation of Design, Operation and Scheduling of Batch Reactive Distillation Process with Strict Product Specification and Fixed Product Demand using gPROMS. Computer Aided Chemical Engineering 26, 411-415.
Ali M.I., Schneider P.A. (2006). A fed-batch design approach of struvite system in controlled supersaturation. Chemical Engineering Science, 61, 12, 3951-3961.
Barakat T., Sorensen E. Optimal synthesis and design of hybrid batch separation processes. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Charalambides M.S., Shan N., Pantelides C.C. (1995). Synthesis of Batch reaction/distillation processes using detailed dynamic-models, Computers & Chemical Engineering, 19, S167-S174.
Diehl M., Schafer A., Bock H.G., Schloder J.P., Leineweber D.B. (2002). Optimization of multiple-fraction batch distillation with recycled waste cuts. AIChE Journal, 48, 12, 2869-2874.
Furlonge H.I., Pantelides C.C., Sorensen E. (1999). Optimal operation of multivessel batch distillation columns, AIChE Journal 1999, 45, 4, 781-801.
Giovanoglou A., Barlatier J., Adjiman C.S., Pistikopoulos E.N., Cordiner J.L. (2003). Optimal solvent design for batch separation based on economic performance, AIChE Journal, 49, 12, 3095-3109.
Low K.H., Sorensen E. (2002). Optimal operation of extractive distillation in different batch configurations, AIChE Journal, 48, 5, 1034-1050.
Sharif M., Shah N., Pantelides C.C. (1999). Design of integrated batch processes with discrete and continuous equipment sizes. Computers & Chemical Engineering, 23, S117-S120.
Sharif M., Shah N., Pantelides C.C. (1998). On the design of multicomponent batch distillation columns, Computers & Chemical Engineering, 22, S69-S76.
Sorensen, E. (1999). A cyclic operating policy for batch distillation - Theory and practice, Computers & Chemical Engineering, 23, 4-5, 533-542.
Viswanathan S., Shah N., Venkatasubramanian V. (2000). A hybrid strategy for batch process hazards analysis. Computers & Chemical Engineering, 24, 2-7, 545-549.
Wang L., Li P., Wozny G., Wang S.Q. (2003). A startup model for simulation of batch distillation starting from a cold state, Computers & Chemical Engineering, 27, 10, 1485-1497.
Winkel M.L., Zullo L.C., Verheijen P.J.T., Pantelides C.C. (1995). Modelling and simulation of the operation of an industrial batch plant using gPROMS, Computers & Chemical Engineering, 19, S571-S576.

Process design and control

Singh A., and Hovd M. (2007). Dynamic modeling and control structure design for a liquefied natural gas process. Proceedings of the American Control Conference , art. no. 4282284, 1347-1352.
Ekpo E.E., Mujtaba, I.M. (2007). Performance analysis of three controllers for the polymerisation of styrene in a batch reactor. Chemical Product and Process Modeling 2 (1), art. no. 3
Van Brempt W.,Backx T., Ludlage J., Van Overschee P. (2001). Optimal Trajectories for grade change control: application on a polyethylene gas phase reactor.Proceedings of the 2003 American Control Conference, 2003. 5411- 5416 vol.6
Ekpo E.E., Mujtaba IM. (2007). Optimal control trajectories for a batch polymerisation reactor. International Journal of Chemical Reactor Engineering, 5, Article No: A4. MacRosty R.D.M. Swartz, C.L.E. (2007). Dynamic optimisation of electric arc furnace operation. AIChE Journal, 53, 640-653
Bansal V., Sakizlis V., Ross R., Perkins J.D., Pistikopoulos E.N. (2003). New algorithms for mixed-integer dynamic optimization, Computers & Chemical Engineering, 27, 5, 647-668.
Bansal V., Perkins J.D., Pistikopoulos E.N. (2002). A case study in simultaneous design and control using rigorous mixed-integer dynamic optimisation models, Industrial & Engineering Chemistry Research, 41, 760-778.
Engell S., Fernholz G (2003). Control of a reactive separation process. Chemical Engineering and Processing, 42, 201-210.
Georgiadis, M.C., Schenk, M., Pistikopoulos, E.N., Gani, R., (2002) The interactions of design, control and operability in reactive distillation systems,. Computers and Chem. Engng., 26, 735-746.
Kookos I.K., Perkins J.D. (2001). An algorithm for simultaneous process design and control. Industrial & Engineering Chemistry Research, 40, . 19, 4079-4088.
Kowalewski S., Stursberg O., Fritz M., Graf H., Hoffmann I., Preussig J., Remelhe M., Simon S., Treseler H. (1999). A case study in tool-aided analysis of discretely controlled continuous systems: The two tanks problem. Hybrid Systems V, 1567, 163-1.
Panjwani P., Schenk M., Georgiadis M.C., Pistikopoulos E N. Process design and control of a reactive distillation system", Engineering Optimisation, In Press, 2005.
Pinheiro C.I.C., Kershenbaum L.S. (1999). Model predictive control of reactor temperature in a CSTR pilot plant operating at an unstable steady-state. Computers & Chemical Engineering, 23, S859-S862.
Rolandi P.A., Romagnoli J.A. On-line optimising control of large-scale chemical processes. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Ross, R., Bansal, V., Perkins, J.D., Pistikopoulos, E.N., van Schijndel, J.M.G., Koot, G.L.M. (1999). Optimal design and control of an industrial distillation system, Computers & Chemical Engineering, 23, S875-S878..
Rotava O., Sargent R.W.H., Kershenbaum L.S. (1999). Implementation of linear and nonlinear optimal control techniques in a CO2 absorption/desorption plant, Computers & Chemical Engineering, 23, S879-S882.
Sakizlis V., Perkins J.D., Pistikopoulos E.N. (2004). Recent advances in optimisation-based simultaneous process design and control. Computers & Chemical Engineering, 28, 10, 2069-2086.

Food, biochemical, biomedical and biotechnological applications

Dua P., Doyle F.J., Pistikopoulos E.N. (2009). Multi-objective blood glucose control for type 1 diabetes. Medical and Biological Engineering & Computing, 47, 343-352
Dua P., Dua V., Pistikopoulos E.N. (2008). Optimal delivery of chemotherapeutic agents in cancer. Computers & Chemical Engineering, 32, 99-107
Dua P., Doyle F.J., Pistikopoulos E.N. (2006). Title: Model-based blood glucose control for Type 1 diabetes via parametric programming IEEE Transactions on Biomedical Engineering, 53, 1478-1491.
Dua P., Dua V., Pistikopoulos E.N. Modelling and parametric control of drug delivery systems. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Dua P., Sakizlis V., Dua V., Doyle III F.J., Pistikopoulos E.N. (2004). Model based control for insulin delivery for Type 1 diabetics via parametric programming. Proceeding of the European Symposium on Computer-Aided Process Engineering - 14, Editors: Barbosa-Povoa A., Matos H., 1045-1050.
Georgiadis M.C., Rotstein G.E., Macchietto S. (1998). Modeling and simulation of shell and tube heat exchagers under milk fouling, AIChE Journal, 44, 959-971.
Georgiadis M.C., Rotstein G.E., Macchietto S. (1998). Optimal design and operation of heat exchangers under milk fouling, AIChE Journal, 44, 2099-2111.
Georgiadis M.C., Rotstein G.E., Macchietto S. (1998). Modelling and simulation of complex plate heat exchanger arrangements under milk fouling, Computers and Chem. Engng., 22, 331-338.
Georgiadis M.C., Macchietto S. (2000) Dynamic modelling and simulation of plate heat exchangers under milk fouling, Chemical Engineering Science, 55, 1605-1619.
Kontoravdi C., Asprey S.P., Pistikopoulos E.N., Mantalaris A., (2005). Application of global sensitivity analysis to determine goals for design of experiments - An example study on antibody-producing cell cultures. To appear in Biotechnology Progress.
Kontoravdi C., Asprey S.P., Pistikopoulos E.N., Mantalaris A. Dynamic of MAb production and glycosylation for the purpose of product quality control. Proceedings of ESCAPE-15, Barcelona, Spain, 28 May - 1 June 2005
Kontoravdi C., Asprey S.P., Pistikopoulos E.N., Mantalaris A. (2005). Application of the Sobol´ global sensitivity analysis method to a dynamic model of MAb-producing mammalian cell cultures. In: Proceedings of the 24th IASTED International Conference on Modelling, Identification and Control. Innsbruck, Austria, 361-366.
Kontoravdi C., Katsika A., Gavrielides Y., Asprey S.P., Pistikopoulos E.N., Mantalaris A. (2005). Towards the optimisation of the production of monoclonal antibodies. In: Computer Applications in Biotechnology 2004. Nancy, France.
Kuhlmann, C., Bogle, I.D.L. Chalabi, Z.S. (1998). Robust operation of fed batch fermenters, Bioproc. Eng. 19, 1, 53-59.
Lu Y., Clarkson A., Titchener Hooker N., Pantelides C.C., Bogle D. (1994). Simulation as a tool in process design and management for production of intracellular enzymes, Chemical Engineering, Research & Design, 72, A3, 371-375.
Mussati M.C., Fuentes M., Scenna N.J., Aguirre P.A. (2003). Optimizing load policy in anaerobic biofilm reactors for wastewater treatment, Latin American Applied Research, 33, 3, 301-305.
Mussati M., Aguirre P., Scenna N.J. (1998). Modeling of real biological reactors for the treatment of complex substrates. Dynamic simulation, Computers & Chemical Engineering, 22, S723-S726.
Samsatli N., Shah N. (1996). An Optimisation based design procedure for biochemical processes. Chemical Engineering, Research & Design, 74, Part C, 221-231.
Samsatli N., Shah N. (1995). Optimal Design of continuous sterilization networks, Computers and Chem. Engng., 19, S95-S100.
Uesbeck, F., Samsatli, N.J., Papageorgiou, L.G. Shah, N. (1998). Robust optimal fermentation operating policies, Computers & Chemical Engineering, 22(SS), S167-S174.
Wood J., Fernandez G., Barker A., Cumby T., Gregory J. Investigation of the performance of a down flow reed bed system for the treatment of dairy farm wastewater. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.

Multiscale gPROMS/CFD modelling

Bermingham S.K., Verheijen PJT., Kramer H.J.M. (2003). Optimal design of solution crystallization processes with rigorous models, Chemical Engineering Research & Design, 81, A8, 893-903.
Bezzo F., Macchietto S., Pantelides C.C. (2004). A general methodology for hybrid multizonal/CFD models - Part I. Theoretical framework. Computers & Chemical Engineering, 28, 4, 501-511.
Bezzo F., Macchietto S., Pantelides C.C. (2003). General hybrid multizonal/CFD aroach for bioreactor modeling, AIChE Journal, 49, 8, 2133-2148.
Bezzo F., Macchietto S., Pantelides C.C. (2000). A general framework for the integration of computational fluid dynamics and process simulation. Computers & Chemical Engineering, 24, 2-7, 653-658.
Choi Y., Chung S., Oh M., Kim H. (2005). Investigation of crystallization in a Jet Y-Mixer by a hybrid Computational fluid dynamics and process simulation approach, Crystal Growth & Design, 5, 3, 959-968
Kougoulos E, Jones A.G., Wood-Kaczmar M. (2005). CFD modelling of mixing and heat transfer in batch cooling crystallizers - Aiding the development of a hybrid predictive compartmental model. Chemical Engineering Research & Design, 83 (A1): 30-39.
Kougoulos E., Jones A.G., Wood-Kaczmar M.W. (2006). A hybrid CFD compartmentalization modeling framework for the scaleup of batch cooling crystallization processes. Chemical Engineering Communications, 193, 8, 1008-1023.
Kougoulos E., Jones A.G., Wood-Kaczmar M.W. (2006). Process modelling tools for continuous and batch organic crystallization processes including application to scale-up. Organic Process Research & Development, 10, 4, 739-750.
Marias F. (2003). A model of a rotary kiln incinerator including processes occurring within the solid and the gaseous phases. Computers & Chemical Engineering, 27, 813-825.
Urban Z., Pantelides C.C. (2003). High accuracy predictive modeling for solid oxide fuel cell units in systems. In Proc. Eighth grove Fuel cell Symposium, 24-26 September 2003, London, U.K.

Numerical algorithms (solution methods, dynamic optimisation)

Avraam M.P., Shah N., Pantelides C.C. (1999). A decomposition algorithm for the optimisation of hybrid dynamic processes. Computers & Chemical Engineering, 23, S451-S454.
Jarvis R.B., Pantelides C.C. (1991). Robust Dynamic Simulation of Chemical Engineering Processes, Chemical Engineering Research & Design, 69, 3, 213-214.
Keeping B.R., Pantelides C.C. (1998). A distributed memory parallel algorithm for the efficient computation of sensitivities of differential-algebraic systems, Mathematics and computers in simulation, 44, 6, 545-558.
Leineweber D.B., Schafer A., Bock H.G., Schloder J.P. (2003). An efficient multiple shooting based reduced SQP strategy for large-scale dynamic process optimization - Part II: Software aspects and alications. Computers & Chemical Engineering 27, 2, 167-174.
Pantelides C.C., Gritsis D., Morison K.R., Sargent R.W.H. (1988). The Mathematical Modelling of transient systems using differential algebraic equations, Computers & Chemical Engineering, 12, 5, 449-454.
Pantelides C.C. (1988). The consistent Initialization of Differential-Algebraic systems, Siam Journal on scientific and statistical computing, 9, 2, 213-231.
Rolandi, P., Cano, A. (2008). A framework for analysis of computational load of CAPE tools, European Symposium on Computer-Aided Process Engineering - 18, Editors: Braunschweig, B., Joulia, X. Elsevier.
Siettos C.I., Pantelides C.C., Kevrekidis I.G. (2003). Enabling dynamic process simulators to perform alternative tasks: A time-steer-based toolkit for computer-aided analysis. Industrial & Engineering Chemistry Research, 42, 26, 6795-6801.
Smith E.M.B., Pantelides C.C. (2001). A symbolic reformulation/spatial branch-and-bound algorithm for the global optimization of nonconvex MINLP's. Computers & Chemical Engineering, 25, 11-12, 1399-1401.
Smith E.M.B., Pantelides C.C. (1997). Global optimisation of nonconvex MINLPs, Computers & Chemical Engineering, 21, S791-S796.
Vassiliadis V.S., Sargent R.W.H., Pantelides C.C. (1994). Solution of a class of multistage dynamic optimisation problems. 1. Problems without path constraints, Industrial & Engineering Chemistry Research, 33, 9, 2111-2122.
Vassiliadis V.S., Sargent R.W.H., Pantelides C.C. (1994). Solution of a class of multistage dynamic optimisation problems. 2. Problems with path constraints, Industrial & Engineering Chemistry Research, 33, 9, 2123-2133.
Vonwatzdorf R., Naef U.G., Barton P.I., Pantelides C.C. (1994). Deterministic and Stochastic Simulation of Batch semi-continuous Processes, Computers & Chemical Engineering, 18, S343-S347.

Other application areas

Moita R.D., Matos H.A., Fernandes C., Nunes C.P., Pinho M.J. (2009). Dynamic modelling and simulation of a heated brine spray system. Computers & Chemical Engineering, 33, 1323-1335.
Lawal A., Wang M., Stephenson P., Yeung H. (2009). Dynamic modelling of CO2 absorption for post combustion capture in coal-fired power plants. Fuel, 88, 2455-2462.
Gonçalves A., Castro P., Novais A.Q., Rangel C.M., Matos H. (2008). Modeling of catalytic hydrogen generation from sodium borohydride. Computer Aided Chemical Engineering, 25, 757-762
Khalfalla, H.A., Mujtaba, I.M., El-Garni, M.M., El-Akrami, H.A. (2008). Optimisations with energy recovery for oxidative desulphurization of heavy gas oil. Computer Aided Chemical Engineering 25, 859-864.
Luna-Ortiz E., Lawrence P., Pantelides C.C., Adjiman, C.S. Immanuel, C.D. (2008). An integrated framework for model-based flow assurance in deep-water oil and gas production. Computer Aided Chemical Engineering, 25, 787-792.
Abufares A., Engell, S. (2007). Optimal operation of the cyclic claus process. Computer Aided Chemical Engineering, 24, , 1047-1052
Pfeifer P., Wall C.., Jensen O. et al (2009). Thermal coupling of a high temperature PEM fuel cell with a complex hydride tank. International Journal of Hydrogen Energy. 34, 3457-3466.
Lychnos G., Davies P.A. (2008). A Solar Powered Liquid-Desiccant Cooling System for Greenhouses. Proceedings of the International Workshop on Greenhouse Environmental Control and Crop Production in semi-arid regions. 797, 95-101.
Fuentes M., Scenna N.J., Aguirre P.A., et al (2008). .Hydrodynamic aspects in anaerobic fluidized bed reactor modeling. Chemical Engineering and Processing, 47, 1530-1540.
Tanvir M.S., Mujtaba I.M. (2008). Optimisation of design and operation of MSF desalination process using MINLP technique in gPROMS, Desalination, 222, 1-3, 419-430.
Kvamsdal H.M., Rochelle G.T. (2008). Effects of the temperature bulge in CO2 absorption from flue gas by aqueous monoethanolamine. Industrial Engineering Chemistry Research, 47, 3, 867-875.
Sun J., Modi S., Liu K., Lesieur R., Buglass J. (2007). Kinetics of zinc oxide sulfidation for packed-bed desulfurizer modeling. Enegy & Fuels, 21, 4, 1863-1871.
Dawoud B., Vedder U., Amer E.H., Dunne S. (2007). Non-isothermal adsorption kinetics of water vapour into a consolidated zeolite layer. International Journal of Heat and Mass Transfer, 50, 11-12, 2190-2199.
Samaniego H., San Roman M.F., Ortiz I. (2007). Kinetics of zinc recovery from spent pickling effluents. Industrial Engineering Chemistry Research, 46, 3, 907-912.
Abbas A., Guevara V., Romagnoli J. Hybrid modelling: architecture for the solution of complex process systems, European Symposium on Computer-Aided Process Engineering - 12. Editors: Grievink J, VanSchijndel J. Computer-Aided Process Engineering 10, 409-414, 2002.
Ali M.I., Schneider P.A. (2006). A fed-batch design approach of struvite system in controlled supersaturation. Chemical Engineering, Science, 61, 12, 3951-3961.
Carpanzano E. Integrating an object-oriented modelling language with a general process simulator for control system design: A case study, Simulation in Industry'2000 Editors: Moller DPF, 247-252, 2000.
Castro P., Matos H., Barbosa-Povoa A.P.F.D. (2002). Dynamic modelling and scheduling of an industrial batch system. Computers & Chemical Engineering, 26, 4-5, 671-686.
Chang B., Lee S., Kwon H., Moon I. (1998). Rigorous industrial dynamic simulation of a crude distillation unit considered valve tray rating parameters, Computers & Chemical Engineering, 22, S863-S866.
Dawoud B., Miltkau T., Assefa A. Combined heat and mass transfer analysis of the kinetics of water vapor adsorption into a zeolite layer, Proceeding of the International Sorption Heat Pump Conference. Editors: Wang R, Wang W, Lu Z, Huang X 595-602, 2002.
Escalante H., Alonso A.I., Ortiz I., Irabien A. (1998). Separation of L-phenylalanine by nondispersive extraction and backextraction. Equilibrium and kinetic parameters, Separation Science and Technology, 33, 1, 119-139.
Galan B., Alonso A.I., San Roman M.F., Irabien A., Ortiz I. Separation processes by non-dispersive liquid-liquid extraction. Mathematical modelling of the separation selectivity, International Symposium on liquid-liquid two phase flow and transport phenomena, Editors: Maron D.M., 381-392, 1998.
Georgiadis M.C., Kostoglou, M. (2001). On the Optimisation of Drug Release from Multi-Laminated Polymer Matrix Devices. Journal of Controlled Release, 77/3, 273-285.
Horneman D.A., Ottens M., Tesson M., van der Wielen L.A.M. Improving gelatin plant productivity by modelling the demineralization process of animal bones, European Symposium on Computer-Aided Process Engineering - 12 Editors: Grievink J, VanSchijndel J. Computer-Aided Process Engineering, 10 691-696, 2002.
Ibaacutentildeez R., Gomez P., Rivero M.J., Gorri E.D., Urtiaga A., Ortiz I. Design of hybrid processes in the synthetic rubber industry. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Ishikawa T., Natori Y., Liberis L., Pantelides C.C. (1997). Modelling and optimisation of an industrial batch process for the production of dioctyl phthalate, Computers & Chemical Engineering, 21, S1239-S1244.
Kakhu A.I., Pantelides C.C. (2003). Dynamic modelling of aqueous electrolyte systems, Computers & Chemical Engineering, 27, 6, 869-882.
Kakhu A., Keeping B., Lu Y.Z., Pantelides C.C. An open software architecture for process modeling and model-based applications, Third International Conference on Foundations of Computer-Aided Process Operations, Editors: Pekny JF, Blau GE AICHE SYMPOSIUM SERIES 94 (320) 518-524, 1998.
Kreul L.U., Fernholz G., Gorak A., Engell S. (1997). Experience gained with the dynamic simulators DNA, gPROMS and ABACUSS, Chemie Ingenieur Technik, 1997, Vol 69, 5, 650-653.
Kvamsdal H.M., Svendsen H.F., Hertzberg T. Olsvik O. (1999). Dynamic Simulation and Optimisation of a Catalytic Steam Reformer, Chemical Engineering Science, 54, 13-14, 2697-2706.
Mangold M., Mohl K.D., Gruner S., Kienle A., Gilles E.D. Nonlinear analysis of gPROMS models using DIVA via a CAPE ESO interface. European Symposium on Computer-Aided Process Engineering - 12 Editors: Grievink J, VanSchijndel J. Computer-Aided Process Engineering, 10, 919-924, 2002.
Markovska L.T., Meshko V.D., Marinkovski M.S. (2006). Modeling of the adsorption kinetics of zinc onto granular activated carbon and natural zeolite. Journal of the Serbian Chemical Society, 71, 8-9, 957-967.
Mello M., Eic M. (2002). Adsorption of sulfur dioxide from pseudo binary mixtures on hydrophobic zeolites: Modeling of the breakthrough curves. Adsorption-Journal of the International Adsorption Society, 4, 279-289.
Miltkau T., Dawoud B. (2002). Dynamic modeling of the combined heat and mass transfer during the adsorption/desorption of water vapor into/from a zeolite layer of an adsorption heat pump. International Journal of Thermal Sciences, 41, 8, 753-762.
Moita R.D., Matos H.A., Fernandes C. Process integration of a dynamic industrial system, European Symposium on Computer-Aided Process Engineering - 14, Editors: Barbosa-Povoa A.P., Matos H. Computer-Aided Chemical Engineering, 18, 445-450, 2004.
Pantelides C.C., Oh M. (1996). Process modelling tools and their application to particulate processes, Powder Technology, 87, 1, 13-20.
Rolandi P.A., Romagnoli J.A. Smart enterprise for pulp and paper: Digester modeling and validation, European Symposium on Computer-Aided Process Engineering - 13, Editors: Kraslawski A, Turunen I. Computer-Aided Process Engineering 14, 1049-1054, 2003.
Samsatli N., Papageorgiou L.G., Shah N. (1998). Robustness metrics for dynamic optimisation models under parameter uncertainty, AIChE Journal, 44, 9, 1993-2006.
Schneider P.A., Sheehan M.E., Brown S.T. Modelling the dynamics of solids transport in flighted rotary dryers, European Symposium on Computer-Aided Process Engineering - 13, Editors: Kraslawski A, Turunen I. Computer-Aided Process Engineering, 14 911-916, 2003.
Sheehan, M.E., Britton P.F., Schneoider P.A. (2005). A model for solids transports in flighted rotary dryers based on physical considerations, Chemical Enginering Science, 60, 15, 4171-4182.
Sun Y., Pantelides C.C., Chalabi Z.S. (1995). Mathematical Modelling and Simulation of near ambient grain drying, Computers and electronics in Agriculture, 13, 3, 243-271.
Verdone N., De Filippis P. (2006). Reaction kinetics of hydrogen chloride with sodium carbonate. Chemical Engineering Science, 61, 22, 7487-7496.
Viswanathan S., Shah N., Venkatasubramanian V. (2002). Hybrid framework for hazard identification and assessment in batch processes. AIChE Journal, 48, 8, 1765-1774.

gPROMS architecture and capabilities

Ashley V., Jarvis R., Owens S. (2006). gPROMS: a model system? TCE, 783, 58-59.
Barton P.I., Pantelides C.C. (1994). Modelling OF Combined Discrete-Continuous Processes, AIChE Journal, 40, 6, 966-979.
Biegler L.T., Grossmann I.E. Challenges and research issues for product and process design optimization, in Proc. 6th International Conf. on Foundations of Computer Aided Process Design, CACHE Publications, 2004, 99-117.
Biegler L.T., Lang Y.D. A CAPE-OPEN object for a large-scale nonlinear programming solver. In Proc. 7th World Congress of Chemical Engineering, 10-14 July 2005, Glasgow, Scotland.
Braunschweig B.L., Pantelides C.C., Britt H.I., and Sama S. (2000). Process modeling: The promise of open software architectures. Chemical Engineering Progress, 96, 9, 65-76.
Britt H., Chen C., Mahalec V., McBrien A. Modeling and simulation in 2004: an industrial perspective, in Proc. 6th International Conf. on Foundations of Computer Aided Process Design, CACHE Publications, 2004, 55-68.
Kakalis N.M.P., Kakhu A.I., Pantelides C.C. Implementing SAFT-based thermodynamics in process modelling tools, in Proc. 6th International Conf. on Foundations of Computer Aided Process Design, CACHE Publications, 2004, 537-540.
Lang Y.D., Biegler L.T. (2005). Large-scale non-linear programming with a CAPE-OPEN compliant interface, Chemical Engineering Research and Design, 83, A6, 718-723.
Marquardt W. Model-based experimental analysis: a systems approach to mechanistic modeling of kinetic phenomena, in Proc. 6th International Conf. on Foundations of Computer Aided Process Design, CACHE Publications, 2004, 165-183.
Naef U.G. (1994). Stochastic Simulation using gPROMS, Computers & Chemical Engineering, 18, S743-S747.
Oh M., Pantelides C.C. (1996). A modelling and simulation language for combined lumped and distributed parameter systems, Computers & Chemical Engineering, 20, 6-7, 611-633.
Pantelides C.C. An Advanced Tool for Process Modelling, Simulation and Optimisation Presented at CHEMPUTERS EUROPE III, Frankfurt, October 1996.
Pantelides C.C., Barton P.I. (1993). Equation-Oriented Dynamic Simulation: Current Status and Future Perspectives, Computers & Chemical Engineering ,17, S263-S285.
Pantelides C.C., Britt H.I. Multipurpose Process Modelling Environments , in "Proc. Conf. on Foundations of Computer Aided Process Design '94", Biegler, L.T., and Doherty, M.F., eds., CACHE Publications, 128-141, 1995.
Pantelides C.C. Process Modelling in the 1990s. Presented at the 5th World Congress of Chemical Engineering, San Diego, California, July 1996.
Pantelides C.C., Urban Z.E. Process Modelling Technology: A critical review of recent developments, in Proc. 6th International Conf. on Foundations of Computer Aided Process Design, CACHE Publications, 2004, 69-82.