PSE Academic publication list

Polymerisation Processes

Ghadipasha, N., Geraili, A., Romagnoli, J.A., Castor Jr. C.A., Drenski M.F., Reed, W.F. (2016). Combining On-Line Characterization Tools with Modern Software Environments for Optimal Operation of Polymerization Processes, Processes, 5.
Kim, S.A., Baek, S.W., Lee, J.C., Lee, W.J., Hong, c, S.U.K., Oh, M. (2016). Dynamic simulation of liquid polymerization reactors in Sheripol process for polypropylene, Journal of Industrial and Engineering Chemistry, 33, 298-306.
Paulen, R. , Benyahia, B., Latifi, M.A., Fikar, M (2014). Analysis of optimal operation of a fed-batch emulsion copolymerization reactor used for production of particles with core-shell morphology, Computers & Chemical Engineering, 233-243.
Paulen, R., Benyahia, B., Latifi, M.A., Fikar, M. (2013). Optimal feeding of emulsion polymerization reactor for styrene and butyl acrylate copolymerization, Proceedings of the 2013 International Conference on Process Control, PC 2013 , art. no. 6581448, 427-432.
Paulen, R., Benyahia, B., Latifi, M.A., Fikar, M. (2013). Dynamic optimization of semi-batch emulsion co-polymerization reactor for styrene/butyl acrylate in the presence of a chain transfer agent, Computer Aided Chemical Engineering, 32, 721-726.
Hvala, N., Kukanja, D. (2013). Modelling and simulation of semi-batch polymerisation reactor for improved reactants dosing control, Simulation Modelling Practice and Theory, 33, 102-114.
Wan Ibrahim, W.H.B., Mujtaba, I.M. (2012). Dynamic Optimization of Solution Polymerization Process of Methyl Methacrylate in Batch Reactors, Computer Aided Chemical Engineering ,31, 1326-1330
Wan Ibrahim, W.H.B., Mujtaba, I.M., Alhamad, B.M. (2011). Optimisation of emulsion copolymerization of Styrene and MMA in batch and semi-batch reactors, Chemical Product and Process Modeling, 6.
Hvala, N., Aller, F., Miteva, T., Kukanja, D. (2011). Modelling, simulation and control of an industrial, semi-batch, emulsion-polymerization reactor, Computers and Chemical Engineering 35, 2066-2080.
Jung, S.M., Gomes, V.G. (2011). Miniemulsion polymerisation in pseudo-bulk regime: Mathematical modelling, prediction and optimal strategy of operation, Chemical Engineering Science, 66, 220-226.
Luo, Z.-H., Su, P.-L., Wu, W. (2010). Industrial loop reactor for catalytic propylene polymerization: Dynamic modeling of emergency accidents, Industrial andEngineering Chemistry Research, 49, 11232-11243
Hvala, N,, Miteva, T., Kukanja, D. (2009). Modelling, Simulation and Control of a Semi-Batch Industrial Polymerisation Reactor. 7th International Industrial Simulation Conference, Loughborough, UK, 318-324.
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.

Pharmaceutical Processes

Rogers, A., Ierapetritou, M. (2015). Challenges and opportunities in modeling pharmaceutical manufacturing processes, Computers and Chemical Engineering, 81 32?39.
Singh, R., Sen, M., Ierapetritou, M., Ramachandran (2015). Integrated Moving Horizon-Based Dynamic Real-Time Optimization and Hybrid MPC-PID Control of a Direct Compaction Continuous Tablet Manufacturing Process, Journal of Pharmaceutical Innovation, 10, 233-253
Xin Li, X., Johnson , R., Kasting, G.B. (2016). On the Variation of Water Diffusion Coefficient in Stratum Corneum With Water Content, Journal of Pharmaceutical Sciences, 105, 1141-1147.
Sen, M., Singh, R., Ramachandran, R. (2014). Simulation-based design of an efficient control system for the continuous purification and processing of active pharmaceutical ingredients, Journal of Pharmaceutical Innovation, 9, 65-81
Singh, R. , Barrasso, D., Chaudhury, A., Sen, M., Ierapetritou, M., Ramachandran, R. (2014). Closed-loop feedback control of a continuous pharmaceutical tablet manufacturing process via wet granulation, Journal of Pharmaceutical Innovation, 9, 16-37.
Ravendra, S., Abhishek S., Krizia, M.,K.,, Fernando, M., Ierapetritou, M., Ramachandran, R., (2014). Implementation of an advanced hybrid MPC-PID control system using PAT tools into a direct compaction continuous pharmaceutical tablet manufacturing pilot plant, International Journal of Pharmaceutics, 38-54.
Gavi. E., Reynolds, G.K. (2014). System model of a tablet manufacturing process, Computers and Chemical Engineering 71 (2014) 130-140.
Singh, R., Ierapetritou, M., Ramachandran, R. (2013). Hybrid advanced control of flexible multipurpose continuous tablet manufacturing process via direct compaction, Computer Aided Chemical Engineering, 32, 757-762.
Singh, R., Ierapetritou, M., Ramachandran, R. (2013). System-wide hybrid MPC-PID control of a continuous pharmaceutical tablet manufacturing process via direct compaction, European Journal of Pharmaceutics and Biopharmaceutics, DOI: 10.1016/j.ejpb.2013.02.019.
Sen, M., Rogers, A., Singh, R., Chaudhury, A., John, J., Ierapetritou, M.G. Ramachandran, R. (2013). Flowsheet optimization of integrated continuous purification-processing pharmaceutical manufacturing operation, Chemical Engineering Science, 102, 56-66.
Boukouvala, F., Chaudhury, A., Sen, M., Zhou, R., Mioduszewski, L., Ierapetritou, M.G., Ramachandran, R. (2013). Computer-Aided Flowsheet Simulation of a Pharmaceutical Tablet Manufacturing Process Incorporating Wet Granulation, J. Pharm. Innov., 8, 11-27.
Rogers, A.J., Hashemi,A., Ierapetritou, M.G. (2013). Modeling of Particulate Processes for the Continuous Manufacture of Solid-Based Pharmaceutical Dosage Forms, Processes, 1, 67-127.
Rogers, A.J., Inamdar, C., Ierapetritou, M.G. (2013). An Integrated Approach to Simulation of Pharmaceutical Processes for Solid Drug Manufacture, Industrial and Engineering Chemistry Research., dx.doi.org/10.1021/ie401344a.

Reactive separation processes

Aqar, D.Y., Rahmanian, N., Mujtaba, I.M., (2015). Methyl lactate synthesis using batch reactive distillation: Operational challenges and strategy for enhanced performance, Separation and Purification Technology, 158, 193-203.
Delgado, N.S., Constantino, D.S.M., Carla S. M Pereira, C.S., Rodrigues, A.E. (2014). Synthesis of a Renewable Oxygenated Diesel Additive in an Adsorptive Reactor, Energy Technology, 2, 839-850.
Faria, R.P.V., Pereira,, C. S.M., Silva, V.M.T.M., Loureiro, J.M., Rodrigues, A.E. (2014). Sorption enhanced reactive process for the synthesis of glycerol ethyl acetal, Chemical Engineering Journal, 258, 229-239
Zhang, H., Li, X., Gao, X., Li, H. (2013). A method for modeling a catalytic distillation process based on seepage catalytic packing internal, Chemical Engineering Science ,101, 699-711
Tong, L., Wu, W., Ye, Y., Chen, L., Wozny, G., Qi, Z. (2013). Simulation study on a reactive distillation process of methyl acetate hydrolysis intensified by reaction of methanol dehydration, Chemical Engineering and Processing: Process Intensification, 67 , 111-119
Edreder, E.A., Mujtaba, I.M., Emtir, M. (2011). Optimal operation of different types of batch reactive distillation columns used for hydrolysis of methyl lactate to lactic acid, Chemical Engineering Journal, 172, 467-475
Filipe, R.M., Matos, H.A., Novais, A.Q. (2011). A strategy to extend reactive distillation column performance under catalyst deactivation, Computer Aided Chemical Engineering, 29, 241-245
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.

Crystallization Processes

Shaikh, L.J., Bari, A.H., Ranade, V.V., Pandit, A.B. (2015). Generic Framework for Crystallization Processes Using the Population Balance Model and Its Applicability Industrial and Engineering Chemistry Research, 54, 10539-10548.
Besenhar, M.O., Chaudhury, A., Vetter, T., Ramachandran, R., Khinast, J.G., (2015). Evaluation of Parameter Estimation Methods for Crystallization Processes Modeled via Population Balance Equations, Chemical Engineering Research and Design, 94, 275-289.
Shaikh, L.J. , Ranade, V.V., and Pandit, A.B. (2014). Crystal Shape Evolution using Polyhedral Population Balance, Industrial and Engineering Chemistry Research, DOI: 10.1021/ie501039c
Cogonia, G., Widenskib, D., Grossoa, M., Barattia, R., Romagnoli, J.A. (2014). A qualitative comparison between population balances and stochastic models for non-isothermal antisolvent crystallization processes, Computers and Chemical Engineering, 63 82-90.
Galbraith, S.C., Schneider, P.A. (2014). Modelling and simulation of inorganic precipitation with nucleation, crystal growth and aggregation: A new approach to an old method, Chemical Engineering Journal, 240, 124-132
Ramisetty, K.A., Pandit, A.B., Gogate, P.R. (2013). Ultrasound-assisted antisolvent crystallization of benzoic acid: Effect of process variables supported by theoretical simulations, Industrial and Engineering Chemistry Research, 52, 17573-17582.
Shaikh, L., Pandit, A., Ranade, V. (2013). Crystallisation of ferrous sulphate heptahydrate: Experiments and modelling, Canadian Journal of Chemical Engineering ,91, 47-53.
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

Nikolaidis, G.N., Kikkinides, E.S., Georgiadis, M.C. (2015). Modelling and Simulation of Pressure Swing Adsorption (PSA) Processes for post-combustion Carbon Dioxide (CO2) capture from flue gas, Computer Aided Chemical Engineering, 37, 287-292.
Campo, M.C., Ribeiro, A.M., Ferreira, A.F.P., Santos, J.C., Lutz, C., Loureiro, J.M., Rodrigues, A. E. (2016). Carbon dioxide removal for methane upgrade by a VSA process using an improved 13X zeolite, Fuel Processing Technology, 143, 185?194.
Kim, S., Ko, D., Moon, I. (2015). Dynamic optimisation of CH4/CO2 separating operation using pressure swing adsorption process with feed composition varies, Chemical Engineering Transactions, 45, 853-858.
Horstmeier, J.F., Gomez Lopez, A., Agar, D.W. (2016). Performance improvement of vacuum swing adsorption processes for CO2removal with integrated phase change material, International Journal of Greenhouse Gas Control, 47, 364?375.
Swemath, S., Rezaei, F., Kalyanaraman, J., Lively, R.P., Realff, M.J., Kawajiri, Y. (2014). Optimization and heat integration of hollow fiber based thermal swing adsorption process for CO2 capture from flue gas, Computer Aided Chemical Engineering, 34, 633-638.
Huawei, Y. Chunbiao, Y., Bin J., Donghui, Z. (2014). Optimization and analysis of a VPSA process for N2/CH4 separation, Separation and Purification Technology, 134, 232?240
Zheng, Y. Shi, Y., Li, S., Cai, N. (2013). Mechanism Modeling of Elevated Temperature Pressure Swing Adsorption Process for Pre-combustion CO2 Capture, Energy Procedia, 37, 2307-2315.
Chena, J., Hsua, S., Wei, T. (2013). Optimization design for removal of radioactive Kr from Xe using pressure swing adsorption, Chemical Engineering Research and Design, 91, 649-659.
Silva, B., Solomon, I., Ribeiro, A.M., Lee, U._H., Hwang, Y.K., Chang, J.-S., Loureiro, J.M., Rodrigues, A.E. (2013). H2 purification by pressure swing adsorption using CuBTC, Separation and Purification Technology, 118, 744-756.
Santos, M.P.S., Grande, C.A. Rodrigues, A.E. (2013). Dynamic Study of the Pressure Swing Adsorption Process for Biogas Upgrading and Its Responses to Feed Disturbances, Ind. Eng. Chem. Res. 52, 5445-5454.
Najmi, B., Bolland, O., Westman, S.F. (2013). Simulation of the cyclic operation of a PSA-based SEWGS process for hydrogen production with CO2 capture, Energy Procedia, 37, 2293-2302.
Ribeiro, R.P.P.L. Grande, C.A., Rodrigues, A.E. (2013). Activated carbon honeycomb monolith – Zeolite13Xhybridsystem tocaptureCO2 from flue gases employing Electric Swing Adsorption, Chemical Engineering Science, 104, 304-318
Lively, R.P., Bessho, N., Bhandari, D.A., Kawajiri, Y., Koros, W.J. (2012). Thermally moderated hollow fiber sorbent modules in rapidly cycled pressure swing adsorption mode for hydrogen purification, International Journal of Hydrogen Energy 37, 15227-15240.
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

Gonçalves, J.C., Rodrigues, A.E. (2016). Simulated moving bed reactor for p-xylene production: Dual-bed column, Chemical Engineering and Processing: Process Intensification, 104, 75-83.
Khot, K.M., Heer, P.K.K.S., Biniwale, R.B., Gaikar, V.G. (2015). Pulse Chromatographic Studies of Adsorption of CO2, CH4, and N2 Using Amine Functionalized Polystyrene Adsorbents, Separation Science and Technology, 50, 718-728.
Silva, M.S.P., Rodrigues, A.E., Mota, J.P.B. (2016). Effect of dead volumes on the performance of an industrial-scale simulated moving-bed Parex unit for p-xylene purification, AIChE Journal, DOI: 10.1002/aic.15022.
Nogueira, I.B.R., Ribeiro, A.M., Rodrigues, A.E., Loureiro, J.M. (2016). Dynamics of a True Moving Bed separation process: Effect of operating variables on performance indicators using orthogonalization method, Computers and Chemical Engineering, 86, 5?17
Wisniewski, L., Pereira, C.S.M., Polakovic, M., Rodrigues, A.E. (2014). Chromatographic separation of prebiotic oligosaccharides. Case study: separation of galacto-oligosaccharides on a cation Exchanger, Adsorption, 20, 483-492
Kima, K-M., Song , J-Y., Lee, C-A., (2014), Three-port operation in three-zone simulated moving bedchromatography, Journal of Chromatography A, 1340, 79-89.
Close, E.J., Salm, J.R., , Bracewell, D.G., Sorensen, E. (2014). A model based approach for identifying robust operating conditions for industrial chromatography with process variability, Chemical Engineering Science, 116, 284-295.
Khot, K.M., Heer, P.K.K.S., Biniwale, R.B., Gaikar, V.G. (2014). Pulse Chromatographic Studies of Adsorption of CO2 CH4 and N2 using Amine Functionalized Polystyrene Adsorbents, Separation Science and Technology, DOI: 10.1080/01496395.2014.961089
Bentley, J., Sloan, C. Kawajiri, Y (2013). Simultaneous modeling and optimization of nonlinear simulated moving bed chromatography by the prediction?correction method, Journal of Chromatography A, 1280, 51- 63.
Wisniewski L., Pereira, C.S.M., Polakovic, M., Rodrigues, A.E. (2013). Chromatographic separation of prebiotic oligosaccharides. Case study: separation of galacto-oligosaccharides on a cation Exchanger, Adsorption DOI 10.1007/s10450-013-9587-3.
Kim, K.-M., Lee, C.-H. (2013). Backfill-simulated moving bed operation for improving the separationperformance of simulated moving bed chromatography, Journal of Chromatography A, 1311, 79-89.
Volkl, J., Arlt, W., Minceva, M. (2013). Theoretical Study of Sequential Centrifugal Partition Chromatography, AIChE Journal, 59, 241-249.
Goll, J., Frey,A., Minceva, M. (2013). Study of the separation limits of continuous solid support free liquid?liquid chromatography: Separation of capsaicin and dihydrocapsaicin by centrifugal partition chromatography, Journal of Chromatography A, 1284, 59-68
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

Heer, P.K.K.S., Khot, K.M., Gaikar, V.G. (2016). Development of polystyrene adsorbents functionalized with heterocyclic ligands for selective adsorption of CO2 from CH4 and N2 , Separation and Purification Technology, 158, 212-222.
Martins, V.F.D., Ribeiro, A.M.,Ferreira, A., Lee, U.-H., Hwang, Y.K., Chang, J.-S, Loureiro, J.M., Rodrigues, A.E. (2015). Ethane/ethylene separation on a copper benzene-1,3,5-tricarboxylate MOF, Separation and Purification Technology, 149, 445-456.
Luo, X.,Wang, M., Li, X., Li, Y., Chen, C., Sui, H. (2015). Modelling and process analysis of hybrid hydration-absorption column for ethylene recovery from refinery dry gas, Fuel, 158, 424-434.
Lopez-Saucedo, E.S., Segovia-Hernandez, J.G., Grossmann, I.E., Hernandez-Castro, S. (2015). Rigorous Modeling, Simulation and Optimization of a Dividing Wall Batch Reactive Distillation Column: A comparative study, Computer Aided Chemical Engineering, 37, 653-658.
Papathanasiou, M.M., Avraamidou, A., Oberdieck, R., Mantalaris A., Steinebach F., Morbidelli, M. Mueller-Spaeth, T., Pistikopoulos E.N, (2016). Advanced Control Strategies for the Multicolumn Countercurrent Solvent Gradient Purification Process, AIChE Journal, DOI 10.1002/aic.15203.
Cao, Y., Swartz, C.L., Cerrillo, F., Ma, J. (2016). Dynamic modeling and collocation-based model reduction of cryogenic air separation units, AIChE Journal, DOI: 10.1002/aic.15164
Moreira, M.A., Ferreira, A.F.P., Santos, J.C., Loureiro, J.M., and Rodrigues, A.E. (2014 Hybrid Process for o- and p-Xylene Production in Aromatics Plants, Chemical Engineering and Technology, DOI: 10.1002/ceat.201300724
Campo, M.C. Baptista, M.C., Ribeiro, A.M., Ferreira, A. Santos, J. C. . Lutz, J. C., Loureiro, J. M., Rodrigues, A. E. (2013). Gas phase SMB for propane/propylene separation using enhanced 13X zeolite beads, Adsorption, DOI 10.1007/s10450-013-9549-9.
Chabukswar, D.D., Parminder Kaur K. S. Heer, P.K.K.S., and Gaikar, V.G. (2013). Esterification of Palm Fatty Acid Distillate Using Heterogeneous Sulfonated Microcrystalline Cellulose Catalyst and Its Comparison with H2SO4 Catalyzed Reaction, Industrial and Engineering Chemistry Research, 52, 7316-7326.
Lopes, J.P., Alves, M.A., Oliveira, M.S.N., Cardoso, S.S.S., Rodrigues, A.E. (2013). Operation of a perfusive catalytic membrane with nonlinear kinetics, Chemical Engineering Journal, 232, 196-212.
Sassi, K.M., Mujtaba, I.M. (2012). Effective design of reverse osmosis based desalination process considering wide range of salinity and seawater temperature, Desalination, 306, 8-16.
Ashoor, B.B., Fath, H., Marquardt, W., Mhamdi, A. (2012). Dynamic modeling of direct contact membrane distillation processes , Computer Aided Chemical Engineering, 31, 170-174.
Brand, C.V., Rodr?guez, J., Galindo, A., Jackson, G., Adjiman, C.S. (2012). Validation of an absorber model of carbon dioxide capture in an aqueous amine solvent developed based on the SAFT-VR framework, Computer Aided Chemical Engineering, 31, 930-934.
Hawaidi, E.A.M., Mujtaba, I.M. (2011). Meeting variable freshwater demand by flexible design and operation of the multistage flash desalination process, Industrial and Engineering Chemistry Research. 50, 10604-10614.
Dowell, N.M., Alhajaj, A., Konda, M., Shah, N. (2011). Multiscale whole-systems design and analysis of CO2 capture and transport networks, Computer Aided Chemical Engineering 29, 1205-1209.
Harun, N., Douglas, P.L., Ricardez-Sandoval, L., Croiset, E. (2011). Dynamic simulation of MEA absorption processes for CO 2 capture from fossil fuel power plant, Energy Procedia 4 , 1478-1485
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 crystallization 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 crystallizers 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

Kim, S.H., Hwang, L.S., Joo, Y.J., Lee, S.U., Shon, B.M., Oh, M. (2015). Process modeling system of a combined cycle plant for steady state simulation with model based approach, Korean Chemical Engineering Research, 53, 545-552.
Xenos, D.P., Hofmann, P., Panopoulos, K.D., Kakaras, E. (2015). Detailed transient thermal simulation of a planar SOFC (solid oxide fuel cell) using gPROMS. Energy, 84-102
Olaleye, A.K., Adedayo, K.J., Wu, C., Nahil, M.A., Wang, M., Williams, P.T. (2014). Experimental study, dynamic modelling, validation and analysis of hydrogen production from biomass pyrolysis/gasification of biomass in a two-stage fixed bed reaction system, Fuel, 137, 364-374
Oko, E., Wang, M (2014). Dynamic modelling, validation and analysis of coal-fired subcritical power plant, Fuel, 135, 292-300.
Roh, K., Lee, J.H. (2014). Control structure selection for the elevated-pressure air separation unit in an IGCC power plant: Self-optimizing control structure for economical operation, Industrial and Engineering Chemistry Research, 53, 7479-7488.
Diangelakis, N.A. , Panos, C. , Pistikopoulos, E.N. (2014). Design optimization of an internal combustion engine powered CHP system for residential scale application, Computational Management Science, 11, 237-266
Chansomwong, K.E., Zanganeh, A., Shafeen, P.L., Douglas, E., Croiseta, L.A., Ricardez-Sandoval (2014). Dynamic modelling of a CO2 capture and purification unit for anoxy-coal-fired power plant, International Journal of Greenhouse Gas Contro,l 22, 111-122.
Narvaez A., Chadwick, D., Kershenbaum, L. (2014). Small-medium scale polygeneration systems: Methanol and power Production, Applied Energy, 113, 1109-1117.
Wanga, Y., Shi, Y., Ni, M., Ningsheng, C. (2014). A micro tri-generation system based on direct flame fuel cells for residential applications, International Journal of Hydrogen Energy, 39, 5996-6005.
Samuel, H., Simon, G., Jean-Baptiste, C., D. (2013). Dynamic Modeling and Simulation of Two-stage Compression Heat Pumps with Flash Economizer, ECOS 2013, Guilin, PRC, July 16-19, 2013.
Jacobsen, M.G., Skogestad, S. (2013). Active constraint regions for a natural gas liquefaction process, Journal of Natural Gas Science and Engineering, 10, 8-13.
Luo, X., Xia, C., Sun, L. (2013). Margin design, online optimization, and control approach of a heat exchanger network with bypasses, Computers and Chemical Engineering, 53, 102-121.
Mac Dowell, N., Shah, N. (2013). Identification of the cost-optimal degree of CO2 capture: An optimisation study using dynamic process models, International Journal of Greenhouse Gas Control, 13, 44-58.
Tsikonis, L., Albrektsson, J., Herle, J.-V., Favrat, D., (2013). The effect of bias in gas temperature measurements on the control of a Solid Oxide Fuel Cells system, Journal of Power Sources, 245, 19-26.
Nittaya, T., Douglas, P.L., Croiset, E., Ricardez-Sandoval, L.A. (2013). Dynamic modelling and control of MEA absorption processes for CO2 capture from power plants, Fuel, 116, 672-691
Tzolakis, G., Papanikolaou, P., Kolokotronis, D., Samaras, N., Tourlidakis, A., Tomboulides, A. (2012). Simulation of a coal-fired power plant using mathematical programming algorithms in order to optimize its efficiency, Applied Thermal Engineering, 48, 256-267.
Edge, P.J., Heggs, P.J., Pourkashanian, M., Stephenson, P.L., Williams, A. (2012). A reduced order full plant model for oxyfuel combustion, Fuel, 101, 234-243.
Taher, M.A.A., Adjiman, C.S., Iora, P., Chiesa, P., Brandon, N.P. (2011). Model-based evaluation of the production of pure oxygen through SOFC/SOEC integration, ECS Transactions 35, 2997-300
Bao, C., Cai, N., Croiset, E. (2011). A multi-level simulation platform of natural gas internal reforming solid oxide fuel cell-gas turbine hybrid generation system – Part II. Balancing units model library and system simulation, Journal of Power Sources 196, 8424-8434
Ziogou, C., Voutetakis, S., Papadopoulou, S., Georgiadis, M.C. (2011). Modeling, simulation and experimental validation of a PEM fuel cell system, Computers and Chemical Engineering, 35, 1886-1900
Bao, C. , Cai, N. , Croiset, E. (2011). An analytical model of view factors for radiation heat transfer in planar and tubular solid oxide fuel cells, Journal of Power Sources, 196, 3223-3232.
Natarajan, S., Srinivasan R. (2010). Multi-model based process condition monitoring of offshore oil and gas production process. Chemical Engineering Research and Design, 88, 572-591.
Ziogou, C., Voutetakis, S., Papadopoulou, S., Georgiadis, M.C. (2010). Dynamic modelling and experimental validation of a PEM fuel cell system, Chemical Engineering Transactions, 21, 565-570.
Konstantinidis, D., Varbanov, P., Kleme, J. (2010). Multi-parametric control and optimisation of a small scale CHP, Chemical Engineering Transactions, 21,. 151-156.
Panos, C., Kouramas, K.I., Georgiadis, M.C., Pistikopoulos, E.N. (2010). Dynamic optimization and robust explicit model predictive control of hydrogen storage tank, Computers and Chemical Engineering, 34, 1341-1347.
Lawal, A., Wang, M., Stephenson, P., Koumpouras, G., Yeung, H. (2010). Dynamic modelling and analysis of post-combustion CO2 chemical absorption process for coal-fired power plants. Fuel, 89, 2791-2801.
Natarajan, S., Srinivasan R. (2010). Multi-model based process condition monitoring of offshore oil and gas production process. Chemical Engineering Research and Design, 88, 572-591.
Bao, C., Shi Y.X., Croiset E., Li C., Cai N.S. (2010). A multi-level simulation platform of natural gas internal reforming solid oxide fuel cell-gas turbine hybrid generation system: Part I. Solid oxide fuel cell model library Journal of Power Sources, 195, 4871-4892.
Hofmann, P., Panopoulos K.D. (2010). Detailed dynamic Solid Oxide Fuel Cell modeling for electrochemical impedance spectra simulation. Journal of Power Sources,195, 5320-5339.
Bao C. , Shi Y.X., Li C.,, Cai N.S., Su Q.Q. (2010). Multi-level simulation platform of SOFC-GT hybrid generation system. International Journal of hydrogen Energy, 35, 2894-2899.
Tzolakis, G., Papanikolaou, P., Kolokotronis, D., Samaras, N., Tourlidakis, A., Tomboulides, A. (2010). Emissions’ reduction of a coal-fired power plant via reduction of consumption through simulation and optimization of its mathematical model. Operational Research, 71-89
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 recrystallization 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

Lopez, J.A., Bucala V., Villar, M.A. (2010). Application of Dynamic Optimization Techniques for Poly(beta-hydroxybutyrate) Production in a Fed-Batch Bioreactor. Industrial and Engineering Chemistry Research, 49, 1762-1769.
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

Cotabarren, I.M., Bert?n, D.E., Bucalá, V., Piña, J. (2015). Feedback control strategies for a continuous industrial fluidized-bed granulation process, Powder Technology, 283, 415-432.
Meidanshahi, V., Adams, T.A., II (2015). Integrated Design and Control of Semicontinuous Processes Using Mixed Integer Nonlinear Dynamic Optimization, Computer Aided Chemical Engineering, 37, 1181-1186.
Pistikopoulos E.N., Diangelakis, N.A. (2015). Towards the integration of process design, control and scheduling: Are we getting closer? Computers and Chemical Engineering, http://dx.doi.org/10.1016/j.compchemeng.2015.11.002.
Cao, Y., Swartz, C.L.E., Baldea, M., Blouin, S. (2015). Optimization-based assessment of design limitations to air separationplant agility in demand response scenarios, Journal of Process Control, 33, 37-48.
Diangelakis, N.A., Avraamidou, S., Pistikopoulos, E.N. (2015). Decentralized Multiparametric Model Predictive Control for Domestic Combined Heat and Power Systems, Industrial Engineering Chemistry Research, DOI: 10.1021/acs.iecr.5b03335
Pahija, E., Manenti, F. , Mujtaba, I.M., Rossi, F. (2014). Assessment of control techniques for the dynamic optimization of (semi-)batch reactors, Computers and Chemical Engineering, 66, 269-275.
Elixmann, D., Puschke, J., Scheu, H., Schneider, R., Wolf, I.J., Marquardt, W. (2014). A software environment for economic NMPC and dynamic real-time optimization of chemical processes, At-Automatisierungstechnik, 62, 150-161.
Ramos, M.A., Gómez, J.M., Reneaume, J-M. (2014). Simultaneous Optimal Design and Control of an Extractive Distillation System for the Production of Fuel Grade Ethanol Using a Mathematical Program with Complementarity Constraints, Industrial and Engineering Chemistry Research, 53, 752-764.
Tututi-Avila, S., Jiménez-Gutiérrez, A., Hahn, J. (2014). Analysis of Multi-Loop Control Structures of Dividing-Wall Distillation Columns Using a Fundamental Model, Processes, 2, 180-199
Nascu, I., Krieger, A., Ionescu, C.M., Pistikopoulos, E.N. (2014). Advanced Model Based Control Studies for the Induction and Maintenance of Intravenous Anaesthesia, IEEE Transactions on Biomedical Engineering, DOI 10.1109/TBME.2014.2365726
Sen, M., Singh, R., Ramachandran, R. (2014). A Hybrid MPC-PID Control System Design for the Continuous Purification and Processing of Active Pharmaceutical Ingredients, Processes, 2, 392-418.
Touretzky, C.R. Baldea, M. (2014). Integrating scheduling and control for economic MPC of buildings with energy storage, Journal of Process Control, 24, 1292-1300.
Nguyen, D.H., Latifi, M.A., Lesage, F., Mulholland, M. (2013). Dynamic simulation and optimization of wastewater treatment plants, Proceedings of the 2013 International Conference on Process Control, PC 2013 , 6581445 , 407-414.
Dowell, N.M., Galindo, A., Jackson, G., Adjiman, C.S. (2010). Integrated solvent and process design for the reactive separation of CO2 from flue gas, Computer Aided Chemical Engineering, 28,. 1231-1236.
Jogwar, S.S., Daoutidis, P. (2010). Energy flow patterns and control implications for integrated distillation networks, Industrial and Engineering Chemistry Research, 49, 8048-8061
Damartzis, T., Seferlis, P. (2010). Optimal Design of Staged Three-Phase Reactive Distillation Columns Using Nonequilibrium and Orthogonal Collocation Models. Industrial & Engineering Chemistry Research,49, 3275-3285.
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

García Münzer, D.G., Kostoglou, M., Georgiadis, M.C. , Pistikopoulos, E.N., Mantalaris, A. (2015). Cyclin and DNA Distributed Cell Cycle Model for GS-NS0 Cells, PLOS Computational Biology, DOI:10.1371/journal.pcbi.1004062, 1-28.
S. Zavitsanou, A. Mantalaris, M. C. Georgiadis, and E.N. Pistikopoulos (2015). In-silico closed-loop control validation studies for optimal insulin delivery in type 1 diabetes. IEEE Transactions on Biomedical Engineering, DOI 10.1109/TBME.2015.2427991.
Li X., Johnson, R., Weinstein, B., Wilder, E., Smith, E., Kasting, G.B. (2015). Dynamics of water transport and swelling in human stratum corneum, Chemical Engineering Science, 138, 164?172.
Fuentes-Garí, M., Misener, R., García-Munzer, D., Velliou, E., Georgiadis, M.C., Kostoglou, M., Pistikopoulos, E.N., Panoskaltsis, N., Mantalaris, A. (2015). A mathematical model of subpopulation kinetics for the deconvolution of leukaemia heterogeneity, Journal of the Royal Society Interface, DOI: 10.1098/rsif.2015.0276
Kiparissides, A., Pistikopoulos, E.N., Mantalaris, A. (2015). On the Model-Based Optimization of Secreting Mammalian Cell (GS-NS0) Cultures. Biotechnology and Bioengineering, 112, 536-548.
Mohamad, N.L., Mustapa Kamal, S.M., Mokhtar, M.N., Husain, S.A., Abdullah, N. (2016). Dynamic mathematical modelling of reaction kinetics for xylitol fermentation using Candida tropicalis, Biochemical Engineering Journal, 111, 10-17.
Suarez-Mendez, C.A., Hanemaaijer, M., Pierick, A., Wolters, J.C., Heijnen, J.J., Wahl, S.A. (2016). Interaction of storage carbohydrates and other cyclic fluxes with central metabolism: A quantitative approach by non stationary 13C metabolic flux analysis, Metabolic Engineering Communications, http://dx.doi.org/10.1016/j.meteno.2016.01.001.
Ochoa, M.P., Estrada, M.P. Di Maggio, J., Hoch, P.M. (2016). Dynamic global sensitivity analysis in bioreactor networks for bioethanol production, Bioresource Technology, 200, 666?679.
Meier, K., Klöckner, W., Bonhage, B., Antonov, E., Regestein, L., Büchs, J. (2016). Correlation for the maximum oxygen transfer capacity in shake flasks for a wide range of operating conditions and for different culture media, Biochemical Engineering Journal, 109, 228?235.
Kiparissides, A., Pistikopoulos, E.N., Mantalaris, A. (2014). On the model-based optimization of secreting mammalian cell (GS-NS0) cultures, Biotechnology and Bioengieering, DOI: 10.1002/bit.25457
Jordà, J., Rojas, H.C., Carnicer, M., Wahl, A., Ferrer, P., Albiol, J. (2014). Quantitative Metabolomics and Instationary ¹³C-Metabolic Flux Analysis Reveals Impact of Recombinant Protein Production on Trehalose and Energy Metabolism in Pichia pastoris, Metabolites 2014, 4(2), 281-299.
Galvanin, F., De Luca, R., Ferrentino, G., Barolo, M., Spilimbergo, S., Bezzo, F. (2014). Bacterial inactivation on solid food matrices through supercritical CO2: A correlative study, Journal of Food Engineering, 120, 146-157.
Rachinskiy, K., Kunze, M., Graf, C., Schultze, H., Boy, M., and Buchs, J. (2014). Extension and application of the “enzyme test bench” for oxygen consuming enzyme reactions, Biotechnology and Bioengineering, 111, 244-253.
Galvanin, F., Barolo, M., Padrini, R., Casonato, A., Bezzo, F. (2014). A model-based approach to the automatic diagnosis of von Willebrand disease, AIChE Journal, 60, 1718-1727
Shahrazi, S., Saallah, S., Noriznan Mokhtar, M., Baharuddin, A.S., Yunos K.F. (2013). Dynamic Mathematical Modelling of reactions Kinetics for Cyclodextrins production from different starch sources using Bacillus Macerans Cyclodextrin Glucanotransferase, American Journal of Biochemistry and Biotechnology, 9, 195-205.
Kontoravdi, C. (2013). Systematic Methodology for the Development of Mathematical Models for Biological Processes. Synthetic Biology Methods in Molecular Biology, 1073,177-190.
Hadjiandreou, M.M., Mitsis, G.D. (2013). Mathematical modeling of tumor growth, drug-resistance, toxicity, and optimal therapy design, IEEE Transactions on Biomedical Engineering, doi: 10.1109/TBME.2013.2280189.
Pefani E., Panoskaltsis, N., Mantalaris, A., Georgiadis, M.C., Pistikopoulos, E.N. (2013). Design of optimal patient-specific chemotherapy protocols for the treatment of acute myeloid leukemia (AML), Computers and Chemical Engineering, 187-195.
Galvanin, F.,Ballan, C.C., Barolo, M. Bezzo, F. (2013). A general model-based design of experiments approach to achieve practical identifiability of pharmacokinetic and pharmacodynamic models, J Pharmacokinet Pharmacodyn, 40,451-467.
Giese, H., Azizan,A., Kummel, A., Liao, A., Peter, C.P., Fonseca, J.A., Hermann, R., Duarte, T.M., Buchs. J. (2013). Liquid Films on Shake Flask Walls Explain Increasing Maximum Oxygen Transfer Capacities with Elevating Viscosity, Biotechnology and Bioengineering, DOI 10.1002/bit.25015.
Rachinskiy, K., Kunze, M., Graf, C., Schultze, H., Boy, M., Buchs, J. (2013). Extension and Application of the ??Enzyme Test Bench?? for Oxygen Consuming Enzyme Reactions, Biotechnology and Bioengineering, DOI 10.1002/bit.25020.
Galvanin, F., Barolo, M., Bezzo, F. (2013). On the use of continuous glucose monitoring systems to design optimal clinical tests for the identification of type 1 diabetes models, computer methods and programs in biomedicine, 109, 157-170.
Hadjiandreou, M.M., Mitsis, G.D. (2013). Taking a break from chemotherapy to fight drug-resistance: The cases of Cancer and HIV/AIDS, Engineering in Medicine and Biology Society (EMBC), 35th Annual International Conference of the IEEE , 197-200.
Ochoa, M.P., Hoch, P.M. (2011). Global sensitivity analysis in bioreactor networks, Computer Aided Chemical Engineering 29, 1436-1440
Reinheimer, M.A., Mussati, S., Scenna, N.J. (2010). Influence of product composition and operating conditions on the unsteady behavior of hard candy cooling process. Journal of Food Engineering, 101, 409-416.
Kontoravdi C., Pistikopoulos, E.N., Mantalaris, A. (2010). Systematic development of predictive mathematical models for animal cell cultures, Computers and Chemical Engineering, 34, 1192-1198.
Dua P, Dua V, Pistikopoulos EN (2010). Modelling and multi-parametric control for delivery of anaesthetic agents, Medical and Biological Engineering and Computing, 48, 543-553.
Fuentesa, M., Mussatia, M.C., Scenna, N.J., Aguirre, P.A. (2009). Global modeling and simulation of a three-phase fluidized bed bioreactor. Computers and Chemical Engineering, 33, 359370.
Zavrel, M., Kochanowski, K., Spiess, A.C. (2010); Comparison of different approaches and computer programs for progress curve analysis of enzyme kinetics. Engineering in Life Sciences, 10, 191-200.
Fuentesa, M., Mussatia, M.C., Scenna, N.J., Aguirre, P.A. (2009). Global modeling and simulation of a three-phase fluidized bed bioreactor. Computers and Chemical Engineering, 33, 359370
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.

CO2 capture

Li, F.,Zhang, J., Oko, E., Wang, M. (2015). Modelling of a post-combustion CO2 capture process using neural networks, Fuel, 151, 156-163.
Luu, M.T., Manaf, N.A., Abbas, A. (2015). Dynamic modelling and control strategies for flexible operation of amine-based post-combustion CO2 capture systems, International Journal of Greenhouse Gas Control, 39, 377?389.
He, Z., Sahraei, M.H., Ricardez-Sandoval, L.A. (2015). Flexible operation and simultaneous scheduling and control of a CO2capture plant using model predictive control, International Journal of Greenhouse Gas Control, http://dx.doi.org/10.1016/j.ijggc.2015.10.025.
Cormos A.-M. , Daraban, I.M. (2015). Dynamic modeling and validation of amine-based CO2 capture plant, 74, Applied Thermal Engineering, 202?209.
Zhang, Q., Turton, R., Bhattacharyya, D. (2016). Development of Model and Model-Predictive Control of an MEA-Based Post combustion CO2 Capture Process, Industrial Engineering Chemistry Research, 55, 1292?1308.
Alhajaj, A., Mac Dowell, N., Shah, N. (2016). A techno-economic analysis of post-combustion CO2 capture and compression applied to a combined cycle gas turbine: Part I. A parametric study of the key technical performance indicators, International Journal of Greenhouse Gas Control, 44, 26-41.
Walters, M.S., Lin, Y-J., Sachde, D.J., Edgar, T.F., Rochelle. G.T. (2016). Control Relevant Model of Amine Scrubbing for CO2 Capture from Power Plants, Industrial Engineering Chemistry Research, 55, 1690?1700.
Riboldi, L., Bolland, O., (2016). Determining the potentials of PSA processes for CO2 capture in Integrated Gasification Combined Cycle (IGCC), Energy Procedia, 86, 294 ? 303
Zhang, Q., Turton, R. Bhattacharyya, D. (2016). Development of Model and Model-Predictive Control of an MEA-Based Post combustion CO2 Capture Process, Industrial Engineering Chemistry Research, 55, 1292?1308.
Manaf, N.A., Cousins, A., Feron, P., Abbas, A. (2016). Dynamic modelling, identification and preliminary control analysis of an amine-based post-combustion CO2 capture pilot plant, Journal of Cleaner Production , 113, 635-653
Kang, J-L., Wong, D. S.-H.,, Jang, S.-S., Tan, C.S., (2016). A comparison between packed beds and rotating packed beds for CO2 capture using monoethanolamine and dilute aqueous ammonia solutions, International Journal of Greenhouse Gas Control, 46, , 228?239
Zaman M., Jang, H., Rizwan, M., Lee, J.H. (2016). Optimal design for flexible operation of the post-combustion CO2 capture plant with uncertain economic factors, Computers and Chemical Engineering, 84, 99-117.
Afkhamipour, M., Mofarahi M., (2016). Modeling and optimization of CO2capture using4-diethylamino-2-butanol (DEAB) solution, International Journal of Greenhouse Gas Control, 49, 24?33.
Heer, P.K.K.S., Khot, K.M. Gaikar, V.G. (2016). Development of polystyrene adsorbents functionalized with heterocyclic ligands for selective adsorption of CO2 from CH4 and N2, Separation and Purification Technology, 158, 212?222.

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)

Hendriks, D., Schiffelers, R.R.J., Hufner, M., Sonntag, C. (2011). A transformation framework for the Compositional Interchange Format for hybrid systems, IFAC Proceedings Volumes, 18, 12509-12514
Aragon, D., Rolandi, P.A., Romagnoli, J.A. (2011). Framework for integrated model-centric process support, Industrial and Engineering Chemistry Research, 50, 10533-10548 .
Hartwich, A., Marquardt, W. (2010). Dynamic optimization of the load change of a large-scale chemical plant by adaptive single shooting, Computers and Chemical Engineering, 34, 1873-1889.
Bouaswaig, A.E., Engell, S. (2009). WENO scheme with static grid adaptation for tracking steep moving fronts. Chemical Engineering Science, 64, 3214 -3226.
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

Nawaf, A.T., Jarullah, A.T., Gheni, S.A.,Mujtaba, I.M. (2015). Development of Kinetic and Process Models for the Oxidative Desulfurization of Light Fuel, Using Experiments and the Parameter Estimation Technique, Industrial and Engineering Chemistry Research, 54, 12503-12515.
Ajayi, O.O., Sheehan, M.E. (2015). Pseudophysical Compartment Modeling of an Industrial Flighted Rotary Dryer with Flighted and Unflighted Sections: Energy, Industrial and Engineering Chemistry Research , 54, 12331-12341.
Oko, E., Wang, M., Zhang, J. (2015). Neural network approach for predicting drum pressure and level in coal-fired subcritical power plant, Fuel, 151, 139-145.
Almpanis-Lekkas, O.,Weiss, B., Wukovits, W. (2015). Modelling of an ironmaking melter gasifier unit operation with multicomponent/multiphase equilibrium calculations, Journal of Cleaner Production, DOI: 10.1016/j.jclepro.2015.08.050.
Rong, S. , Dong, S., Yan, R., Liu, T. (2015). Dynamic simulation of a double-capacity water tank system using gPROMS, Proceedings of the World Congress on Intelligent Control and Automation (WCICA), 2015, Article number 7053761, 6081-6084.
Lee, J.C., Kofi, O.S., Kim, S.Y., Hong, S.G., Oh, M. (2015). Polypropylene production simulation with cape-open interfacing of pro/ii and gPROMS. Journal of Engineering Science and Technology, 10, Pages 48-61.
Sowgath, T.M., Mujtaba, I. (2015). Meeting the fixed water demand of MSF desalination using scheduling in gPROMS, Chemical Engineering Transactions 45, 451-456.
Russo, V., Kilpi?, T., Di Serio, M., Tesser, R., Santacesaria, E., Murzin, D.Y., Salmi, T. (2015). Dynamic non-isothermal trickle bed reactor with both internal diffusion and heat conduction: Sugar hydrogenation as a case study, Chemical Engineering Research and Design, 102, 171-185.
Jarullah, A.T., Hameed, S.A., Hameed, Z.A., Mujtaba, I.M. (2015). Optimal operation of a pyrolysis reactor, Computer Aided Chemical Engineering, 37, 827-832.
Kelloway, A., Tsapatsis, M., Daoutidis, P. (2015). Techno-economic analysis of ethanol-selective membranes for corn ethanol-water separation, Computer Aided Chemical Engineering, 37, 365-370.
Barrasso, D., Eppinger T., Pereira, F.E., Aglave, R., Debus, K., Bermingham, S.K., Ramachandran, R., (2015). A multi-scale, mechanistic model of a wet granulation process using a novel bi-directional PBM?DEM coupling algorithm, Chemical Engineering Science, 123, 500?513
Bueno, L., Toro, C., Mart?n, M. (2015). Techno-economic evaluation of the production of polyesters from glycerol and adipic acid, Chemical Engineering Research and Design , 93, 432-440.
Seepersad, D., Ghouse, J.H., Adams II, T.A. (2015). Dynamic simulation and control of an integratedgasifier/reformer system. Part II: Discrete and model predictive control, Chemical Engineering Research and Design, 100, 497-508.
Di Maggio, J., Estrada, V., Diaz, M.S. (2015). Water Resources Management with Dynamic Optimization Strategies and Integrated Models of Lakes and Artificial Wetlands, Computer Aided Chemical Engineering , 37, 2543-2548.
Goortani, B.M., Gaurav, A., Deshpande, A., Ng, F.T.T. , Rempel, G.L. (2015). Production of isooctane from isobutene: Energy integration and carbon dioxide abatement via catalytic distillation, Industrial and Engineering Chemistry Research 54, 3570-3581.
Kang, T., Kim, M., Kim, J. Sohn, Y.J. (2015). Numerical modeling of the degradation rate for membrane electrode assemblies in high temperature proton exchange membrane fuel cells and analyzing operational effects of the degradation. International Energy of Hydrogen Energy, 40, 5444-5455.
Oko, E., Wang, M., Zhang, J. (2015). Neural network approach for predicting drum pressure and level in coal-fired subcritical power plant, Fuel , 151, 139?145
Russo, V., Kilpi?, T., Hernandez Carucci, J., Di Serio, M., Salmi, T.O. (2015). Modeling of microreactors for ethylene epoxidation and total oxidation, Chemical Engineering Science, 134, 563-571.
Russo, V., Kilpi?,T., Di Serio, M., Tesser, R., Santacesari, E., Murzin, D.Y., Salmia, T. (2015). Dynamic non-isothermal trickle bed reactor with both internal diffusion and heat conduction: Sugar hydrogenation as a case study. Chemical Engineering Research and Design, 102, 171-185.
Moskowitz, I.H., Seider, W.D., Soroush, M., Oktem, U.G., Arbogast J.E. (2015). Chemical Process Simulation for Dynamic Risk Analysis: A Steam?Methane Reformer Case Study, Industrial Engineering Chemistry Research, 54, 4347?4359
Cao, W., Beggs, C., Mujtaba, I.M. (2015). Theoretical approach of freeze seawater desalination on flake ice maker utilizing LNG cold energy, Desalination, 355, 22-32.
Lee, Y.R., Choi, H.S Park, H.C., Lee , J.E. (2015). A numerical study on biomass fast pyrolysis process: A comparison between full lumped modeling and hybrid modeling combinedwith CFD, Computers and Chemical Engineering, 82, 202?215.
Ondrey, G. (2014). Focus on: Simulation and modeling software: Model-based support for process design, Chemical Engineering, 121, 28.
Teklay, A., Yin, C. , Rosendahl, L. (2016). Flash calcination of kaolinite rich clay and impact of process conditions on the quality of the calcines: A way to reduce CO2 footprint from cement industry, Applied Energy, DOI: 10.1016/j.apenergy.2015.04.127.
Kim, S.H., Nyande, B.W., Kim, H.S., Park, J.S., Lee, W.J., Oh, M. (2016). Numerical analysis of thermal decomposition for RDX, TNT, and Composition B, Journal of Hazardous Materials, 308, 120?130.
Isimite, J., Rubini, P. (2016). dynamic HAZOP case study using the Texas City refinery explosion, Journal of Loss Prevention in the Process Industries, 40, 496-501.
Liu, J., Daoutidis, P., Yang, B. (2016). Process design and optimization for etherification of glycerol with isobutene, Chemical Engineering Science, 144, 326?335.
Georgopoulou, C.A., Dimopoulos, G.G., Kakalis N.M.P. (2016). A modular dynamic mathematical model of thermoelectric elements for marine applications, Energy, 94, 13-28
Galvanina, F., Marchesini R., Barolo, M., , Bezzo, F., Fidaleo, M., (2016). Optimal design of experiments for parameter identification in electrodialysis models, Chemical Engineering Research and Design, 105, 107-119.
Dimopoulos, G.G. Stefanatos, I.C., Kakalis N.M.P. (2016). Exergy analysis and optimisation of a marine molten carbonate fuel cell system in simple and combined cycle configuration, Energy Conversion and Management, 107, 10?21.
Becker, H., G?ttel, R., Turek, T., (2016). Enhancing internal mass transport in Fischer-Tropsch catalyst layers utilizing transport pores, Catal. Sci. Technol., 6, 275
Russo, V., Tesser, R., Masiello, D., Trifuoggi, M., Di Serio, M. (2016). Further verification of adsorption dynamic intraparticle model (ADIM) for fluid?solid adsorption kinetics in batch reactors, Chemical Engineering Journal, 283, 1197?1202.
Balaji, D., Abraham, R., Murthy, M.V.R., (2016). Experimental study on the vacuum load of low temperature thermal desalination plant, Desalination and Water Treatment, DOI: 10.1080/19443994.2016.1138889.
Silva, C., Soh, L., Barberio, A., Zimmerman, J., Seider, W.D. (2016). Phase equilibria of triolein to biodiesel reactor systems, Fluid Phase Equilibria, 409, 171-192.
Nittaya, T., Douglas, P.L., Croiset, E., Ricardez-Sandoval, L.A (2014). Dynamic modeling and evaluation of an industrial-scale CO2 capture plant using monoethanolamine absorption processes, Industrial and Engineering Chemistry Research, 53, 11411-11426
Cao, W., Beggs, C., Mujtaba, I.M. (2014). Theoretical approach of freeze seawater desalination on flake ice maker utilizing LNG cold energy, Desalination, 355, 22-32
Martins, A.V.P.R., Ramos, J.E.T., Coelho, J.A., Vidal, C.B. , Cavalcante, C.L., Azevedo, D.C.S. (2014). Environmental Technology, 35, 1367-1377.
Zheng, Y., Shi, Y. , Li, S., Yang, Y., Cai, N. (2014). Elevated temperature hydrogen/carbon dioxide separation process simulation by integrating elementary reaction model of hydrotalcite adsorbent, International Journal of Hydrogen Energy, 39, 3771-3779.
Bueno, L. , Toro, C.A., Mart?n, M. (2014). Scale-up and Techno-economical Study for the Production of Polyesters from Glycerol, Computer Aided Chemical Engineering, 33, 43-48.
Alsadaie, S.M., Mujtaba, I.M. (2014). Modelling and simulation of MSF desalination plant: The effect of venting system design for non-condensable gases, Chemical Engineering Transactions, 39, 1615-1620.
Almpanis-Lekkas, O. , Wukovits, W., Weiss, B. (2014). Development of an industrial iron-making melter gasifier model with multiphase equilibrium calculations, Chemical Engineering Transactions, 39, 823-828.
Min Young Park, Eung Soo Kim (2014). Development and Verification of Behavior of Tritium Analytic Code (BOTANIC), Transactions of the Korean Nuclear Society Autumn Meeting, Pyeongchang, Korea,, October 30-31, 2014.
Shafeeyan, M.S., Wan Daud, W.M.A., Shamiri, A. (2014). A review of mathematical modelling of fixed-bed columns for carbon dioxide adsorption, Chemical Engineering Research and Design, 92, 961-988.
Martins, A.V.P.R., Ramos, J.E.T., Coelho, J.A., Vidal, C.B., Cavalcante, C.L., Azevedo, Jr.. (2014). Metal-impregnated carbon applied as adsorbent for removal of sulphur compounds using fixed-bed column technology, Environmental Technology, 35, 1367-1377
Rodrigues, A.K.O., Ramos, J.E.T., Cavalcante, C.L., Rodríguez-Castellón, E.R., Azevedo, D.C.S. (2014). Pd-loaded mesoporous silica as a robust adsorbent in adsorption/desorption desulfurization cycles, Fuel, 126, 96?103
Bui, M., Gunawan, I., Verheyen, V., Feron, P., Meuleman, E., Adeloju, S. (2014). Dynamic modelling and optimisation of flexible operation in post-combustion CO2 capture plants–A review, Computers and Chemical Engineering, 61, 245-265
Han, L., Zhou, Z., Bollas, G.M. (2014). Heterogeneous modeling of chemical-looping combustion. Part 2: Particle model, Chemical Engineering Science, 113, 16-128.
Girish S. Joglekar, Arun Giridhar, Gintaras Reklaitis (2014). workflow modeling system for capturing data provenance, Computers and Chemical Engineering, 67 (2014) 148-158.
Montebelli, A., Visconti, C.G., Groppi, G., Tronconi, E., Kohler, S. (2014). Optimization of compact multitubular fixed-bed reactors for the methanol synthesis loaded with highly conductive structured catalysts, Chemical Engineering Journal, 255, 257-265
Ajayi, O.O., Sheehan, M.E. (2014). Pseudophysical Compartment Modeling of an Industrial Rotary Dryer with Flighted and Unflighted Sections: Solids Transport, Industrial and Engineering Chemistry Research, 53, 15980-15989.
Kang, J.L., Sun, K., Wong, D.S.H, Jang, S.S., Tan, C.S. (2014). Modeling studies on absorption of CO2 by monoethanolamine in rotating packed bed, International Journal of Greenhouse Gas Control, 25, 141-150.
Morgado, P.I., Lisboa, P.F., Ribeiro M.P., Miguel S.P., , Simôes, P.C., Correia, I.J., Aguiar-Ricardo, A. (2014). Poly(vinyl alcohol)/chitosan asymmetrical membranes: Highly controlled morphology toward the ideal wound dressing, Journal of Membrane Science, 469, 262-271.
Yao, W., Croiset, E (2014). Modelling and Ni/Yttria-Stabilized-Zirconia pattern anode experimental validation of a new charge transfer reactions mechanism for hydrogen electrochemical oxidation on solid oxide fuel cell anodes, Journal of Power Sources, 248, 777-788.
Manno, G., Zymaris, A.S., Kakalis, N.M.P. (2014). Automatic Synthesis of Fault Trees from Process Modelling with Application in Ship Machinery Systems, Presented in the Probabilistic Safety Assessment and Management PSAM 12, June 2014, Honolulu, Hawaii.
Todri, E., Amenaghawon, A.N., del Val, I.J., Leak, D.J.L., Kontoravdi, C., Kucherenko, S., Shah, N. (2014). Global sensitivity analysis and meta-modeling of an ethanol production process, Chemical Engineering Science, 114, 114-127.
Grande, C.A., Blom, R. (2014). Cryogenic Adsorption of Methane and Carbon Dioxide on Zeolites 4A and 13X, Energy Fuels, 28, 6688-6693.
Santos, B.A.V., Pereira, C.S.M., Silva, V.M.T.M, Loureiro, J.M., Rodrigues, A.E. (2014). Design of a True moving BEd reactor for the direct synthesis of dimethyl carbonate, Chemical Engineering Science, doi:10.1016/j.ces.2014.11.017.
Kalyanaraman, J., Fan, Y., Lively, R.P., Koros, W.J., Jones, C.W., Realff, M.J., Kawajiri, Y. (2014). Modeling and experimental validation of carbon dioxide sorption on hollow fibers loaded with silica-supported poly(ethylenimine), Chemical Engineering Journal, 259, 737-751.
Thaore, V.B., Gaikar, V.G. (2013). Kinetic model development for steam pyrolysis of dimethylformamide in a tubular reactor, Industrial and Engineering Chemistry Research 52, 10601-10608.
Fuentes, M., Aguirre, P.A., Scenna, N.J. (2013). Optimization of bio-hydrogen production and C-N removal in combined anaerobic-aerobic systems, Computer Aided Chemical Engineering, 32 , 793-798.
Pahija, E., Manenti, F., Mujtaba, I.M. (2013). Selecting the best control methodology to improve the efficiency of discontinuous reactors, Computer Aided Chemical Engineering, 32 , 805-810.
Lee, A., Miller, D.C. (2013). A one-dimensional (1-D) three-region model for a bubbling fluidized-bed adsorber, Industrial and Engineering Chemistry Research, 52, 469-484.
Van Goethem, M.W.M., Verheijen, P.J.T. (2013). Integration of symbolic modelling within an equation based flowsheet package for steam pyrolysis, Simulation Modelling Practice and Theory, 30, 74-89.
Haruna,N., Douglas, P.L., Croiset, E., and Sandoval, L. A. (2013). Dynamic Simulation and Control of MEA Absorption Process for CO2 Capture from Power Plants, Proceedings of the 6th International Conference on Process Systems Engineering (PSE ASIA) 25 – 27 June 2013, Kuala Lumpur.
Richard C. Pattison and Michael Baldea (2013). A Thermal-Flywheel Approach to Distributed Temperature Control in Microchannel Reactors, AIChE Journal, 59, 2051-2061.
Alhajaja, A., Mac Dowell, N., Shah, N. Multiscale design and analysis of CO2 capture, transport and storage networks, Energy Procedia, 37, 2552-2561.
Montebelli, A., Visconti, C.G., Groppi, G., Tronconi ,E., Ferreira C., Kohler, S. (2013). Enabling small-scale methanol synthesis reactors through the adoption of highly conductive structured catalysts, Catalysis Today , 215, 176-185.
Lee, I., Tak, K., Lim, W., Choi, K., Moon, I. (2013). Deterministic Optimization of Pure Refrigerant System in C3MR Process. Proceedings of the 6th International Conference on Process Systems Engineering (PSE ASIA) 25 – 27 June 2013, Kuala Lumpur.
Ali, M.B., Kairouani, L., (2013). Solving equations describing the steady-state model of MSF desalination process using Solver Optimization Tool of MATLAB software, Desalination and Water Treatment DOI: 10.1080/19443994.2013.827777.
Mac Dowell, N., Samsatli, N.J., Shah, N. (2013). Dynamic modelling and analysis of an amine-based post-combustion CO2 capture absorption column, International Journal of Greenhouse Gas Control, 12, 247-258.
Pattison, R.C., Estep, F.E., Baldea, M. (2013). Pseudodistributed Feed Configurations for Catalytic Plate Microchannel Reactors, Industrial and Engineering Chemistry Research, dx.doi.org/10.1021/ie4008997.
Tedesco, M., Cipollina, A., Tamburini, A., van Baak, W., Micale, G. (2012). Modelling the Reverse ElectroDialysis process with seawater and concentrated brines, Desalination and Water Treatment, 49, 404-424.
Wua, Y.-J., Li, P., Yu, J.-G., Cunha, A.F., Rodrigues, A.E. (2013). Sorption-enhanced steam reforming of ethanol on NiMgAl multifunctional materials: Experimental and numerical investigation, Chemical Engineering Journal, 231, 36-48.
Domingues, L., Pinheiro, C.I.C., Oliveira, N.M.C., Fernandes, J., Vilelas, A. (2012). Model development and validation of ethyl tert -butyl ether production reactors using industrial plant data, Industrial and Engineering Chemistry Research, 51, 15018-15031.
Pauloa, C.I., Di Maggio, J.A., Diaz, M.S., Ruggeri, B. (2013). Modeling and Parameter Estimation in Biofuel Discontinuous Production by Hydrogen Forming Bacteria (HFB), Chemical Engineering Transactions, 32, 1033-1038.
Sadeqzadeh, M., Chambrey, S., Piche, S., Fongarland, P., Luck, F., Curulla-Ferre, D., Schweich, D., Bousquet, J., Khodakov, A.Y. (2013). Catalysis Today, 215 (2013) 52? 59.
Mizuta, Y., Nakagawa, M. (2013). Development of Quantitative Hazard Analysis Method for Inherently Safer Chemical Processes, Chemical Engineering Transactions, 31.
Asadi, T., Ehsani, M.R., Ribeiro, A.M., Loureiro, J.M., Rodrigues A.E. (2013). CO2/CH4 Separation by Adsorption using Nanoporous Metal Organic Framework Copper-benzene-1,3,5-tricarboxylate Tablet, Chem. Eng. Technol. 36, 1231-1239.
Piemonte, V., Gironi, F. (2013). Kinetics of Hydrolytic Degradation of PLA, J Polym Environ, 21, 313-318.
Goncalves, J.S. Rodrigues, A.E. (2013). Industrial Xylene/Ethylbenzene Isomerization Unit Using a Radial-Flow Reactor and EUO-Type Zeolite, Chem. Eng. Technol., 36, 1658-1664.
Zhou, Z., Han, L., Bollas, G.M. (2013). Model-based analysis of bench-scale fixed-bed units for chemical-looping combustion, Chemical Engineering Journal, 233, 331-348.
Zhang, J., Fatah, N., Capela, S., Kara, Y., Guerrini, O., Khodakov, A.Y. (2013). Kinetic investigation of carbon monoxide hydrogenation under realistic conditions of methanation of biomass derived syngas, Fuel, 111, 845-854.
Ghouse, J.H., Adams II, T.A. (2013). A multi-scale dynamic two-dimensional heterogeneous model for catalytic steam methane reforming reactors, International Journal of hydrogen Energy, 38, 9984-9999.
Singh, R., Ierapetritou, M., Ramachandran, R. (2012). An engineering study on the enhanced control and operation of continuous manufacturing of pharmaceutical tablets via roller compaction, International Journal of Pharmaceutics 438, 307-326 .
Hankin, A., Kelsall, G.H. (2012). Electrochemical recovery of nickel from nickel sulfamate plating effluents, Journal of Applied Electrochemistry, 42, 629-643 .
Jarullah, A.T., Mujtaba, I.M., Wood, A.S. (2012). Economic Analysis of an Industrial Refining Unit Involving Hydrotreatment of Whole Crude Oil in Trickle Bed Reactor using gPROMS, Computer Aided Chemical Engineering, 30 , 652-656 .
Biliyok, C., Lawal, A., Wang, M., Seibert, F. (2012). Dynamic Validation of Model for Post-Combustion Chemical Absorption CO 2 Capture Plant, Computer Aided Chemical Engineering, 30, 807-811 .
Hawaidi, E.A.M., Mujtaba, I.M. (2012). Impact of Fouling on Flexible Design and Operation of MSF Desalination Process with Variable Freshwater Demand, Computer Aided Chemical Engineering, 30, 502-506
Fuentes, M., Scenna, N.J., Aguirre, P.A. (2012). Optimization of hybrid anaerobic-aerobic SBR-based systems, Computer Aided Chemical Engineering 30, 137-141.
Moita, R.D., Matos, H.A., Fernandes, C., Nunes, C.P., Pinho, M.J. (2012). Evaluation of the performance of a heated brine spray system by dynamic simulation, Computers and Chemical Engineering, 41, 106-122.
Jarullah, A.T., Mujtaba, I.M., Wood, A.S. (2012). Whole crude oil hydrotreating from small-scale laboratory pilot plant to large-scale trickle-bed reactor: Analysis of operational issues through modeling, Energy and Fuels, 26, 629-641.
Berreni, M., Wang, M. (2012). Modelling and dynamic optimization of thermal cracking of propane for ethylene manufacturing, Computers and Chemical Engineering, 35, 2876-2885.
Pantoleontos, G., Kikkinides, E.S., Georgiadis, M.C. (2012). A heterogeneous dynamic model for the simulation and optimisation of the steam methane reforming reactor, International Journal of Hydrogen Energy, 37, 16346-16358.
Al-Fulaij, H., Cipollina, A., Ettouney, H., Bogle, D. (2011). Simulation of stability and dynamics of multistage flash desalination, Desalination, 281, 404-412.
De Filippis, P., Liuzzo, G., Scarsella, M., Verdone, N. (2011). Oxidative desulfurization II: Temperature dependence of organosulfur compounds oxidation, Industrial and Engineering Chemistry Research, 50,10452-10457.
Jarullah, A.T., Mujtaba, I.M., Wood, A.S. (2011). Modelling and optimization of crude oil hydrotreating process in trickle bed reactor: Energy consumption and recovery issues, Chemical Product and Process Modeling, 6.
Rasid, R.A., Heggs, P.J., Hughes, K.J., Pourkashanian, M. (2011). Process Modelling of Entrained Flow Gasification, Computer Aided Chemical Engineering, 29, 1763-1767.
Berreni, M., Wang, M. (2011). Modelling and dynamic optimisation for optimal operation of industrial tubular reactor for propane cracking, Computer Aided Chemical Engineering, 29, 955-959.
Jarullah, A.T., Mujtaba, I.M., Wood, A.S. (2011). Kinetic parameter estimation and simulation of trickle-bed reactor for hydrodesulfurization of crude oil, Chemical Engineering Science, 66,. 859-871.
Yang, A., Martin, E., Morris, J. (2011). Identification of semi-parametric hybrid process models, Computers and Chemical Engineering 35, 63-70.
Oliveira, E.L.G., Grande, C.A., Rodrigues, A.E. (2011). Effect of catalyst activity in SMR-SERP for hydrogen production: Commercial vs. large-pore catalyst, Chemical Engineering Science, 66, 342-354.
Coletti, F., Macchietto, S (2011)., Refinery pre-heat train network simulation undergoing fouling: Assessment of energy efficiency and carbon emissions, Heat Transfer Engineering, 32, 228-236.
Lam, H.L., Kleme, J.J., Friedler, F., Kravanja, Z., Varbanov, P.S. (2010). Software tools overview: Process integration, modelling and optimisation for energy saving and pollution reduction, Chemical Engineering Transactions 21, 487-492.
Iancu, P., Velea, S., Plesu, V., Muscalu, C., David, R. (2010). Modelling and simulation of CO2 absorption in alkaline buffer solutions in gPROMS, Chemical Engineering Transactions, 21,. 679-684.
Alvarez Cabrera, A.A., Foeken, M.J., Tekin, O.A., Woestenenk, K., Erden, M.S., De Schutter, B., Van Tooren, M.J.L., Tomiyama, T. (2010). Towards automation of control software: A review of challenges in mechatronic design, Mechatronics, 20, 876-886
Sudiro, M., Bertucco, A., Groppi, G., Tronconi, E. (2010). Simulation of a structured catalytic reactor for exothermic methanation reactions producing synthetic natural gas, Computer Aided Chemical Engineering, 28, pp. 691-696.
Guzlek , H., Baptista, I.I.R., Wood, P.L., Livingston, A. (2010). A novel approach to modelling counter-current chromatography, Journal of Chromatography A, 1217, 6230-6240.
Kiparissides, A., Pistikopoulos, E.N., Mantalaris, A. (2010). Towards energy-based dynamic optimization of monoclonal antibody producing GS-NS0 Cultures, Computer Aided Chemical Engineering, 28, 589-594.
Al-Fulaij, H., Cipollina, A., Bogle, D., Ettouney, H. (2010). Once through multistage flash desalination: gPROMS dynamic and steady state modeling, Desalination and Water Treatment, 18, 46-60
Kamath, R.S., Biegler, L.T., Grossmann, I.E. (2010). An equation-oriented approach for handling thermodynamics based on cubic equation of state in process optimization, Computers and Chemical Engineering, 34, 2085-2096.
Natarajan, S., Srinivasan, R. (2010). Multi-model based process condition monitoring of offshore oil and gas production process, Chemical Engineering Research and Design, 88, 572-591.
Hawaidi. E.A.M., Mujtaba, I.M. (2010). Simulation and optimization of MSF desalination process for fixed freshwater demand: Impact of brine heater fouling. Chemical Engineering Journal, 165, 545-55.
Cotabarren, I.M., Bertin, D., Romagnoli, J., Bucala, V., Pina J. (2010). Dynamic Simulation and Optimization of a Urea Granulation Circuit. Industrial & Engineering Chemistry Research, 49, 6630-6640.
Kiss, A.A, Bildea, C.S., Grievink, J. (2010). Dynamic modeling and process optimization of an industrial sulfuric acid plant. Chemical Engineering Journal, 158, 241-249.
Said, S.A., Mujtaba, I.M., Emtir, M. (2010). Modelling and simulation of the effect of non-condensable gases on heat transfer in the MSF desalination plants using gPROMS software. Computer Aided Chemical Engineering 28, 25-30
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.
Gonalves 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.
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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.
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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.
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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.
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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.
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Pantelides C.C. Process Modelling in the 1990s. Presented at the 5th World Congress of Chemical Engineering, San Diego, California, July 1996.
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Polymerisation Processes

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gPROMS architecture and capabilities

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