Modeling of hydrocarbon fluid flow in a catalytic reactor

The article considers the methodology of mathematical modeling of the process of hydrocarbon fluid isomerization in a catalytic reactor used for the synthesis of organic fuels. A model for calculating the parameters of fluid flow in a mixed medium 'open space – porous body' has been developed, taking into account the properties of the porous material and the main chemical transformations characterizing hydroisomerization. The model includes the Navier-Stokes equations regularized on the basis of the quasi-hydrodynamic approach, averaged over a representative elementary volume, and a system of convection-diffusion equations for calculating the evolution of the concentrations of raw materials and the reaction product. In the spatially two-dimensional case, a numerical algorithm for solving the problem has been developed; its software implementation has been performed. Trial calculations of the model problem have been carried out, which have shown the correctness of the developed numerical approach and the operability of the created software code.