Computation of the Solid Catalyzed Gas Phase Reactions with a Simultaneous Choice of the Scheme of the Reactions for Different Composition of the Initial Reaction Mixture

Abstract

One of the features of the industrial heterogeneous catalytic reactions is an influence of qualitative and quantitative composition of the initial reaction mixture on the reactions proceeded. At the stage of the laboratory experiments it is possible to find the stoichiometry, kinetic equations and reaction constants for different components of the initial flow of the raw materials. It is important also to take into account multivariant composition of the initial flows. For these purposes we developed and realized an algorithm for using the model with a simultaneous choice of model equations depending on the composition of the initial reaction mixture. The algorithm was checked on the basis of an example of the aromatization of light alkanes with the different composition of the initial mixture.