An approximate method for calculating composition of the non-equilibrium explosion products of hydrocarbons and oxygen

International Workshop on Physical and Chemical Processes in Atomic Systems

Shargatov, V.A.^1 ; Gubin, S.A.^1 ; Okunev, D Yu^1

National Research Nuclear University MEPhI, Moscow Engineering Physics Institute, Kashirskoe Shosse 31, Moscow

115409, Russia^1

关键词: Algebraic equations;    Approximate methods;    Bimolecular reaction;    Chemical equilibriums;    Detailed kinetic mechanisms;    Explosion products;    Quasi-equilibrium;    Stiff differential equations;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/751/1/012021/pdf
DOI  :  10.1088/1742-6596/751/1/012021

来源: IOP

【 摘 要 】

We develop a method for calculating the changes in composition of the explosion products in the case where the complete chemical equilibrium is absent but the bimolecular reactions are in quasi-equilibrium with the exception bimolecular reactions with one of the components of the mixture. We investigate the possibility of using the method of »quasiequilibrium» for mixtures of hydrocarbons and oxygen. The method is based on the assumption of the existence of the partial chemical equilibrium in the explosion products. Without significant loss of accuracy to the solution of stiff differential equations detailed kinetic mechanism can be replaced by one or two differential equation and a system of algebraic equations. This method is always consistent with the detailed mechanism and can be used separately or in conjunction with the solution of a stiff system for chemically non-equilibrium mixtures replacing it when bimolecular reactions are near to equilibrium.