中文摘要：

给出了一种由特殊炸药的爆轰参数确定不同种分子问势函数参数的方法：由基于统计物理的爆轰产物物态方程程序类CHEQ，计算炸药RX-23-AB，HNB和PETN的爆轰参数，反推分子间的相互作用．给出了炸药主要爆轰产物H2O，CO2和N2之间的非理想混合修正系数：kN2-H2O=1．03，kN2-CO2=1．035，kH2O-CO2=0．96，将本文确定的不同种分子间势函数参数用于计算炸药PBX9404的超高压雨贡纽，获得了与实验一致的结果，验证了方法和参数的合理性．

英文摘要：

In this paper, we present a method that unlike-pair interactions are determinated by explosive detonation data. The unlike-pair interaction parameters kN2-H20 = 1.03, kN2-CO2 = 1.035, kH20-CO2 = 0.96 are deduced from the calculated results of explosive RX-23-AB, HNB and PETN with our statistical mechanical chemical equilibrium code CHEQ-like. At the same time, the theoretical Hugoniots of explosive PBX9404 are calculated with these parameters. The results in better agreement with the experimental data show that the parameters and method are reliable.