基于统计物理的爆轰产物物态方程研究

Equation of state of detonation products based on statistical mechanical theory

用van der Waals等效单组分流体模型和Ross硬球微扰理论软球修正模型,计算爆轰气相产物的状态方程;用石墨相、金刚石相、类石墨液相和类金刚石液相4种相态描述凝聚成分,由Gibbs自由能最小确定不同状态下的凝聚产物相态.对爆轰产物混合系统采用Gibbs自由能最小原理,通过化学平衡方程组求解炸药爆轰产物系统的平衡组分,计算结果与Becker-Kistiakowsky-Wilson(BKW)和Lennard-Jones-Devonshire结果相近.使用该理论对炸药的爆轰参数做了预言,与BKW,Jones-Wilkins-Lee(JWL)的计算结果比较后发现,对于高密度炸药,这几种方法的计算结果与实验值都符合很好,对于低密度炸药,所得计算结果比BKW,JWL的结果更接近实验值.

The equation of state of gas detonation products is described by Ross＇s modification of hard-sphere variation theory and the improved one-fluid van der Waals mixture model. The Gibbs free energy of dissociated carbon is calculated for the most probable state, which is determined by differentiating the four states of carbon, namely graphite, diamond, graphitelike and diamondlike. The equilibrium composition of detonation products are calculated by solving chemical equilibrium equations based on minimizing Gibbs free energy. The results are in good agreement with the results based on Becker-Kistiakowsky-Wilson （BKW） and Lennard-Jones-Devonshire equations of state. The detonation properties of explosives are calculated with this theory. The results of high density explosives based on BKW, Jones-Wilkins-Lee （JWL） and our equations of state are in good agreement with the experimental data. For low density explosives our results are better than that of BKW and JWL.