An approximate method for solving the problem of the establishment of chemical equilibrium in the products of explosion of gas mixture

30th International Conference on Interaction of Intense Energy Fluxes with Matter

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;    Detonation product;    Loss of accuracy;    Stiff differential equations;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/653/1/012054/pdf
DOI  :  10.1088/1742-6596/653/1/012054

来源: IOP

【 摘 要 】

Based on the assumption of the existence of the partial chemical equilibrium in the detonation products, an approximate method for calculating composition of the detonation products is developed. The method uses the assumption of the existence of extremum of Helmholtz free energy for a given density, temperature, and molecular weight of the detonation products mixture. Without significant loss of accuracy to the solution of stiff differential equations, detailed kinetic mechanism can be replaced by one 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 decision of a stiff system, replacing it when bimolecular reactions are near equilibrium.