CHINESE JOURNAL OF ENERGETIC MATERIALS
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Virial-Peng-Long状态方程优化及应用
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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

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The improvement of Virial-Peng-Long Equation of State and Its Application in Predicting the Detonation Performance of Explosives
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1.Shaanxi Applied Physic-Chemistry Research Institute, State Key Laboratory of Transient Chemical Effects and Control, Xi′an 710061, China;2.Shaanxi Applied Physic-Chemistry Research Institute, Xi′an 710061

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    摘要:

    为进一步提升Virial-Peng-Long(VPL)状态方程(equation of state,EOS)描述气相爆轰产物热力学关系准确性,实现VPL EOS对高密度炸药爆轰性能预测准确性提升。在理论分析基础上,通过修正Exponential-6(Exp-6)势函数近程排斥段存在的异常拐点,得到势能曲线全域连续、光滑的指数型分子势Exponential-6modified(Exp-6m),基于Exp-6m势2-5阶维里系数理论值建立了改进形式的高阶维里型气相爆轰产物状态方程:Virial-Peng-Long-modified(VPLm) EOS。一方面,应用VPLm EOS计算了太安(PETN)、硝化甘油(NG)等低碳/无碳炸药,以及六硝基六氮杂异伍兹烷(CL-20)等具有高能量密度炸药的爆轰Chapmann-Jouguet(C-J)参数,结果表明基于VPLm EOS能够准确评价炸药的爆轰性能。其中对PETN在较高密度下爆压预测偏差普遍低于1.5%,对高密度CL-20爆速预测偏差能控制在1.6%以内,计算准确性相比VPL EOS有了显著提升。另一方面,应用VPLm EOS计算了典型含金属起爆药叠氮化铅(LA)在不同密度下的爆速,结果表明VPLm EOS对LA爆速的预测准确性好于Explo5和CHEETAH,相比VPL EOS对LA在较高密度下的爆速计算更为准确。

    Abstract:

    To further improve the accuracy of the Virial-Peng-Long (VPL) equation of state (EOS) in describing the thermochemical relations of gaseous detonation products, and to enhance the accuracy of the VPL EOS in predicting the detonation performance of energetic materials, the abnormal inflection points in the short-range repulsive stage were corrected based on the analysis of the mathematical form of Exponential-6 (Exp-6) potential to obtain a novel exponential molecular potential: Exponential-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 prediction 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 accuracy in predicting the detonation velocity of LA than Explo5 and CHEETAH, and can more accurately evaluate the detonation velocity of LA at higher densities compared to the VPL EOS.

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彭钺,张蕾,谢明伟,等. Virial-Peng-Long状态方程优化及应用[J]. 含能材料,DOI:10.11943/CJEM2025032.

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  • 收稿日期: 2025-02-22
  • 最后修改日期: 2025-04-02
  • 录用日期: 2025-04-07
  • 在线发布日期: 2025-04-08
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