Numerical Simulation of Hydrogen Oxidation at High Pressures Using Global Kinetics

Abstract

This paper has developed and presented a new equation for the global kinetics (macrokinetics) of hydrogen oxidation at high pressures. It is based on equations for calculations of the self-ignition processes of hydrogen-air mixtures in homogeneous chemical reactors using the equations of the detailed kinetic mechanism. The choice of a detailed kinetic mechanism that describes the processes at high pressures well enough is based on a comparative analysis of a significant number of references, some of which are given in the paper. Various detailed kinetic mechanisms are compared by testing the processes of hydrogen selfignition in idealized homogeneous reactors of constant volume and constant pressure using numerical modeling of a system of ordinary differential equations describing the processes of self-ignition of hydrogen. The resulting macrokinetics equation describes the rate of hydrogen oxidation processes which, in the alternative case of a detailed kinetic mechanism, must be modeled using several dozen differential equations. The new equation of hydrogen macrokinetics is intended for the numerical simulation of physicochemical processes in developing new technologies and energy devices.