Numerical analysis of gas flow dynamics of propane pyrolysis

Introduction. Homogeneous pyrolysis of propane is studied in a flow reactor with constant external heating. A numerical analysis of the results of simulating the gas flow in the reactor with account of chemical processes is required for a comprehensive study of the process under all kinds of conditions and for the control of the transition from laboratory facilities to the industrial ones. The results of the numerical modeling of the three-dimensional gas flow dynamics of propane pyrolysis in the reactor based on the ANSYS Fluent using a compact kinetic model are presented. Materials and Methods. An acceptable size kinetic scheme of the pyrolysis of propane is proposed by the authors. The scheme is obtained using the methods of local and global sensitivity analysis of the model. The mathematical model used in the ANSYS Fluent package is given. The model is the equation of continuity, conservation of momentum, and conservation of energy, supplemented by the continuity equations for each gas component. Research Results. The numerical simulation of the three-dimensional dynamics of the gas flow of propane pyrolysis using the ANSYS Fluent software package and a compact kinetic model is carried out for the first time. Calculations of the gas flow dynamics of propane pyrolysis are conducted in the laboratory reactor with account of the diffusion processes, chemical reactions and their thermal effects. The numerical calculations results correlate well with the experimental studies on the conversion of propane. Discussion and Conclusions. The results of the research and simulation of the propane pyrolysis can form the basis for describing the process in the reactor volume under the influence of the laser radiation.