Mathematical modeling of multicomponent gas flows with energy intensive chemical processes by the example of ethane pyrolysis

A mathematical model describing the three-dimensional gas flow dynamics in a laboratory reactor with diffusion, heat transfer and chemical reactions of the hydrocarbons pyrolysis with their thermal effects and thermal processes is proposed. The corresponding numerical model is based on the ANSYS Fluent software package with the addition of a stiff system of ordinary differential equations describing the kinetic scheme of radical chain reactions and heat transfer processes. The mutual verification of experimental data and numerical results shows the proposed model efficiency. This model is designed for multiparameter calculations for the design of chemical-engineering units with large-scale transition and search for the optimal geometry and physical parameters in the case of continued laminar gas flows. The model is verified by the example of thermal and energy regimes for the tube ethane pyrolysis reactor.