A multimodular pseudoheterogeneous model framework for optimal design of catalytic reactors exemplified by methanol synthesis
Tài liệu tham khảo
Ascher, 1998, vol. 61
Askgaard, 1995, A kinetic model of methanol synthesis, J. Catal., 156, 229, 10.1006/jcat.1995.1250
Bauer, 1977, Effective radial thermal conductivity of gas-permeated packed beds containing particles of different shape and size distribution, VDI-H, 11, 605
Biegler, 2007, An overview of simultaneous strategies for dynamic optimization, Chem. Eng. Process., 46, 1043, 10.1016/j.cep.2006.06.021
Bussche, 1996, A steady-state kinetic model for methanol synthesis and the water gas shift reaction on a commercial Cu/ZnO/Al2O3 catalyst, J. Catal., 161, 1, 10.1006/jcat.1996.0156
Butcher, 2016
Carman, 1937, Fluid flow through granular beds, Trans.-Inst. Chem. Eng., 15, 150
Eisfeld, 2001, The influence of confining walls on the pressure drop in packed beds, Chem. Eng. Sci., 56, 4321, 10.1016/S0009-2509(00)00533-9
Ergun, 1952, Fluid flow through packed columns, Chem. Eng. Prog., 48, 89
Evans, 1961, Gaseous diffusion in porous media at uniform pressure, J. Chem. Phys., 35, 2076, 10.1063/1.1732211
Fick, 1855, über diffusion, Ann. Phys., 170, 59, 10.1002/andp.18551700105
Finlayson, 1980
Finlayson, 2000, Mathematics in chemical engineering, Ullmanns Encyclopedia of Industrial Chemistry, 10.1002/14356007.b01_01
Fourer, 2002
Freund, H., 2007. Ortsaufgelöste Simulation von Transportprozessen in durchströmten Festbetten. Ph.D. thesis, Friedrich-Alexander-Universität Erlangen-Nürnberg.
Freund, 2010, Modellgestützter Reaktorentwurf auf Basis der optimalen Reaktionsführung, Chem. Ing. Tech., 83, 420, 10.1002/cite.201000195
Freund, 2008, Towards a methodology for the systematic analysis and design of efficient chemical processes: Part 1. from unit operations to elementary process functions, Chem. Eng. Process., 47, 2051, 10.1016/j.cep.2008.07.011
Froment, G.F., Bischoff, K.B., De Wilde, J., 2011. Chemical Reactor-Analysis and Design.
Fuller, 1969, Diffusion of halogenated hydrocarbons in helium. The effect of structure on collision cross sections, J. Phys. Chem., 73, 3679, 10.1021/j100845a020
Gmehling, 2012
Graaf, 1990, Intra-particle diffusion limitations in low-pressure methanol synthesis, Chem. Eng. Sci., 45, 773, 10.1016/0009-2509(90)85001-T
Graaf, 1986, Chemical equilibria in methanol synthesis, Chem. Eng. Sci., 41, 2883, 10.1016/0009-2509(86)80019-7
Graaf, 1988, Kinetics of low-pressure methanol synthesis, Chem. Eng. Sci., 43, 3185, 10.1016/0009-2509(88)85127-3
Henkel, T.A., 2011. Modellierung von Reaktion und Stofftransport in geformten Katalysatoren am Beispiel der Methanolsynthese. Ph.D. thesis, München, Technische Universität München, Diss., 2011.
Hentschel, 2014, Simultaneous design of the optimal reaction and process concept for multiphase systems, Chem. Eng. Sci., 115, 69, 10.1016/j.ces.2013.09.046
Hentschel, 2014, Model-based prediction of optimal conditions for 1-octene hydroformylation, Chem. Eng. Sci., 115, 58, 10.1016/j.ces.2013.03.051
Hiller, 2006, Gas production
Jackson, 1977, vol. 4
Jeschar, 1964, Druckverlust in Mehrkornschüttungen aus Kugeln, Archiv für das Eisenhüttenwesen, 35, 91, 10.1002/srin.196402300
Kaiser, 2016, Probabilistic reactor design in the framework of elementary process functions, Comput. Chem. Eng., 94, 45, 10.1016/j.compchemeng.2016.06.008
Kaiser, 2018, Reactor-network synthesis via flux profile analysis, Chem. Eng. J., 335, 1018, 10.1016/j.cej.2017.09.051
Kameswaran, 2008, Convergence rates for direct transcription of optimal control problems using collocation at radau points, Comput. Optim. Appl., 41, 81, 10.1007/s10589-007-9098-9
Kaza, K., Jackson, R., 1980. Diffusion and reaction of multicomponent gas mixtures in isothermal porous catalysts. In: Evans et al., 1961, pp. 1179 – 1187, 1179 – 1187. URL http://www.sciencedirect.com/science/article/pii/0009250980851086.
Kerkhof, 1996, A modified maxwell-stefan model for transport through inert membranes: the binary friction model, Chem. Eng. J. Biochem. Eng. J., 64, 319, 10.1016/S0923-0467(96)03134-X
Klein, O., 2001. Thermodynamische Berechnungen mit MATLAB - Entwicklung einer Programmsammlung. Ph.D. thesis, Naturwissenschaftliche Fakultät der Technischen Universität Carolo-Wilhelmina zu Braunschweig. URL d-nb.info/962904430/34.
Krishna, 1997, The maxwell-stefan approach to mass transfer, Chem. Eng. Sci., 52, 861, 10.1016/S0009-2509(96)00458-7
Lanczos, 1938, Trigonometric interpolation of empirical and analytical functions, Stud. Appl. Math., 17, 123
Li, 1977, Heat transfer in packed beds – a reevaluation, Chem. Eng. Sci., 32, 1055, 10.1016/0009-2509(77)80143-7
Martin, 1993, Radiale Wärmeleitung in durchströmten Schüttungsrohren, Chem. Ing. Tech., 65, 1468, 10.1002/cite.330651206
Mason, E.A., Malinauskas, A.P., III, R.B.E., 1967. Flow and diffusion of gases in porous media. In: Evans et al., 1961, pp. 3199–3216, 3199–3216. doi:https://doi.org/10.1063/1.1841191.
Maußner, 2018, Optimization under uncertainty in chemical engineering: Comparative evaluation of unscented transformation methods and cubature rules, Chem. Eng. Sci., 183, 329, 10.1016/j.ces.2018.02.002
Maußner, 2017, A new analytical approximation to the extended brinkman equation, Chem. Eng. Sci., 171, 495, 10.1016/j.ces.2017.06.005
Nilles, 1991, Wärmeübertragung an der Wand durchströmter Schüttungsrohre, Fortschr. Ber. VDI, 3
Ott, 2012, Methanol
Päßler, 2018, Model-based design of energy efficient reactors, Chem. Ing. Tech., 90, 852, 10.1002/cite.201700124
Peschel, 2010, Methodology for the design of optimal chemical reactors based on the concept of elementary process functions, Ind. Eng. Chem. Res., 49, 10535, 10.1021/ie100476q
Peschel, 2012, Design of optimal multiphase reactors exemplified on the hydroformylation of long chain alkenes, Chem. Eng. J., 188, 126, 10.1016/j.cej.2012.01.123
Peschel, 2012, Optimal reaction concept and plant wide optimization of the ethylene oxide process, Chem. Eng. J., 10.1016/j.cej.2012.07.029
Peschel, 2011, Analysis and optimal design of an ethylene oxide reactor, Chem. Eng. Sci., 66, 6453, 10.1016/j.ces.2011.08.054
Pietschak, 2018, Tailored catalyst pellet specification for improved fixed-bed transport characteristics: A shortcut method for the model-based reactor design, Chem. Eng. Res. Des., 137, 60, 10.1016/j.cherd.2018.06.043
Poling, 2001, vol. 5
Radau, 1880, Étude sur les formules d’approximation qui servent à calculer la valeur numérique d’une intégrale définie, J. mathématiques pures et appliquées, 6, 283
Reichelt, 1972, Zur Berechnung des Druckverlustes einphasig durchströmter Kugel- und Zylinderschüttungen, Chem. Ing. Tech., 44, 1068, 10.1002/cite.330441806
Skrzypek, 1995, Thermodynamics and kinetics of low pressure methanol synthesis, Chem. Eng. J. Biochem. Eng. J., 58, 101, 10.1016/0923-0467(94)02955-5
Skrzypek, 1991, Kinetics of methanol synthesis over commercial copper/zinc oxide/alumina catalysts, Chem. Eng. Sci., 46, 2809, 10.1016/0009-2509(91)85150-V
Soave, 1972, Equilibrium constants from a modified redlich-kwong equation of state, Chem. Eng. Sci., 27, 1197, 10.1016/0009-2509(72)80096-4
Specchia, 1980, Heat transfer in packed bed reactors with one phase flow, Chem. Eng. Commun., 4, 361, 10.1080/00986448008935916
Taylor, 1993, vol. 2
Tsotsas, 2013, D6.3 Wärmeleitfähigkeit in Schüttschichten, 651
Tsotsas, 2013, M7 Wärmeleitung und dispersion und durchströmten Schüttungen, 1517
VDI, 2006. VDI Wärmeatlas.
Veldsink, 1995, The use of the dusty-gas model for the description of mass transport with chemical reaction in porous media, Chem. Eng. J. Biochem. Eng. J., 57, 115, 10.1016/0923-0467(94)02929-6
Wächter, A., 2002. An interior point algorithm for large-scale nonlinear optimization with applications in process engineering. Ph.D. thesis, Carnegie Mellon University.
Wächter, A., 2009. Short tutorial: getting started with ipopt in 90 minutes. In: Dagstuhl Seminar Proceedings. Schloss Dagstuhl-Leibniz-Zentrum für Informatik.
Wächter, 2006, On the implementation of an interior-point filter line-search algorithm for large-scale nonlinear programming, Math. Program., 106, 25, 10.1007/s10107-004-0559-y
Wesselingh, 2000
Xie, 2018, Fast synthesis of optimal chemical reactor networks based on a universal system representation, Chem. Eng. Process., 123, 280, 10.1016/j.cep.2017.11.011
Xie, 2018, Optimal reactor design and operation taking catalyst deactivation into account, Chem. Eng. Sci., 175, 405, 10.1016/j.ces.2017.10.010
Xie, 2018, Rigorous design of multiphase reactors: Identification of optimal conditions for mass transfer limited reactions, Chem. Eng. Process., 124, 174, 10.1016/j.cep.2017.11.012
Young, 2005, Modelling of multi-component gas flows in capillaries and porous solids, Int. J. Heat Mass Transf., 48, 5338, 10.1016/j.ijheatmasstransfer.2005.07.034
Zehner, 1970, Wärmeleitfähigkeit von Schüttungen bei mäßigen Temperaturen, Chem. Ing. Tech., 42, 933, 10.1002/cite.330421408
Zhavoronkov, 1949, Hydraulic resistance and density of packing of a granular bed, J. Phys. Chem, 23, 342