PSE Academic publication list

Polymerisation Processes

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.

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Reactive separation processes

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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.

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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.

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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

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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

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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.

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Heat and power systems

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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.

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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.

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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.

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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.

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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.

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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.

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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.
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gPROMS architecture and capabilities

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