Mathematical simulation of a chemical reaction on a catalyst grain using the finite difference method

Title	Mathematical simulation of a chemical reaction on a catalyst grain using the finite difference method
Authors	A. A. Usmanova¹, K. F. Koledina^{1, 2} ¹Institute of Petrochemistry and Catalysis of RAS ²Ufa State Oil Technical University
Annotation	A heterogeneous reaction of a multistage chemical reaction is considered. In the work, mathematical modeling of a system of equations consisting of partial derivatives of a parabolic type is carried out, taking into account the kinetics and mass transfer on the grain of the zeolite catalyst. The graph-theoretic method is used to build the system, and the finite difference method is used to solve it. The study shows the results obtained by modeling the reaction of the synthesis of methyl tert-butyl ether under the action of HY on the catalyst grain.
Keywords	mathematical modeling, finite difference method, diffusion, kinetics, mass transfer in a catalyst grain.
Citation	Usmanova A. A., Koledina K. F. ''Mathematical simulation of a chemical reaction on a catalyst grain using the finite difference method'' [Electronic resource]. Proceedings of the International Scientific Youth School-Seminar "Mathematical Modeling, Numerical Methods and Software complexes" named after E.V. Voskresensky (Saransk, July 14-18, 2022). Saransk: SVMO Publ, 2022. - pp. 200-209. Available at: https://conf.svmo.ru/files/2022/papers/paper31.pdf. - Date of access: 23.11.2024.