含能材料2025，Vol.33Issue(4)：374-383,10.DOI:10.11943/CJEM2025032
Virial-Peng-Long状态方程优化及应用
Improvement and Application of Virial-Peng-Long Equation of State
彭钺 1张蕾 1谢明伟 1袁晓霞 1麻宏亮 1李芳 1李明2
作者信息
- 1. 陕西应用物理化学研究所瞬态化学效应与控制全国重点实验室,陕西 西安 710061
- 2. 陕西应用物理化学研究所,陕西 西安 710061
- 折叠
摘要
Abstract
To further improve the accuracy of the Virial-Peng-Long(VPL)equation of state(EOS)in describing the thermochemi-cal relations of gaseous detonation products,and to enhance the accuracy of the VPL EOS in predicting the detonation perfor-mance of energetic materials,the abnormal inflection points in the short-range repulsive stage were corrected based on the analy-sis of the mathematical form of Exponential-6(Exp-6)potential to obtain a novel exponential molecular potential:Exponen-tial-6modified(Exp-6m)with the globally continuous and smooth potential function curve.On this basis,a high-order virial type gaseous detonation product EOS:Virial-Peng-Long modified(VPLm)EOS was established based on the theoretical values of 2-5th virial coefficients of Exp-6m potential.On one hand,the detonation Chapmann Jouguet(C-J)parameters of oxygen rich equilibrium explosives such as PETN and NG,as well as high-energy density explosives such as CL-20,were calculated using the VPLm EOS.The results show that VPLm EOS can accurately evaluate the detonation performance for explosives.The predic-tion deviation of detonation C-J pressure of PETN at higher densities less than 1.5%,and the prediction deviation of detonation velocity of high-density CL-20 can also be controlled within 1.6%.The calculation accuracy has been significantly improved compared to the VPL EOS.On the other hand,VPLm EOS was applied to calculate the detonation velocity of typical metal-containing primary explosive,lead azide(LA),at different densities.The results show that the VPLm EOS had better accu-racy in predicting the detonation velocity of LA than Explo5 and CHEETAH,and can more accurately evaluate the detonation ve-locity of LA at higher densities compared to the VPL EOS.关键词
Virial-Peng-Long状态方程/分子势函数/爆轰性能/叠氮化铅(LA)Key words
Virial-Peng-Long equation of state/molecular potential function/detonation performance/lead azide(LA)分类
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彭钺,张蕾,谢明伟,袁晓霞,麻宏亮,李芳,李明..Virial-Peng-Long状态方程优化及应用[J].含能材料,2025,33(4):374-383,10.
