Abstract: The capabilities of pseudo-homogeneous and heterogeneous models in the study of complexity of chemical and physical phenomena occurred in different types of the heterogeneous catalytic reactors have been considered. Extended simulations of a single-tube reactor on the base of a two-dimensional pseudo-homogeneous model of a tubular fixed bed reactor incorporating with a dusty-gas model of a catalyst particle have been performed for such industrially important catalytic processes as steam reforming of natural gas, benzene hydrogenation to cyclohexane, ethanol dehydration into ethylene, phenol hydrogenation to cyclohexanone. Simulation study of the influence of operation conditions was very helpful in determining the optimal technological regimes for an industrial-scale multi-tubular packed bed reactor. Chemistry and thermo-physical phenomena inside a short contact time structured catalytic reactor with the partial oxidation reaction of high exothermisity have been analyzed by means of a dynamic one-dimensional two-phase reactor model with accounting for both transport limitations in the boundary layer of a fluid near the catalyst surface and detailed microkinetic models. Mathematical modelling of an industrial-scale fluidized bed reactor for propane-isobutane dehydrogenation have been performed on the base of a two-phase non-isothermal reactor model taking into account kinetics and axial gas-heat dispersion. The benefits of olefins production at subatmospheric pressure have been highlighted on the base of the numerical experiments.

Cite: Bobrova L.N. , Vernikovskaya N.V. , Kagyrmanova A.P. , Kashkin V.N. , Zolotarskii I.A.
Application of Mathematical Modeling and Simulation to Study the Complexity of the Basic Chemical and Physical Phenomena in Catalytic Reactors
Monography chapter Mathematical Modelling (Mathematics Research Developments: Engineering Tools, Techniques and Table). – Nova Science Publishers, Inc., 2013. – C.475-578. – ISBN 9781612096513. Scopus РИНЦ

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Scopus:	2-s2.0-84892934852
Elibrary:	21909178

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