CHINESE JOURNAL OF ENERGETIC MATERIALS
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爆轰凝聚碳产物状态方程优化及应用研究
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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

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基金项目:

陕西省自然科学基础研究计划(2025JC-YBQN-099);全国重点实验室基金(6142602220402)


Research on Optimization and Application of Equation of State for Detonation Condensed Carbon Products
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Shaanxi Applied Physic-Chemistry Research Institute, State Key Laboratory of Transient Chemical Effects and Control, Xi′an 710061, China

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Grant support: Natural Science Foundation of Shaanxi Province(2025JC-YBQN-099);State Key Laboratory Fund (6142602220402)

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    摘要:

    为改进和优化对三氨基三硝基苯(TATB)、苯并三氧化呋咱(BTF)等炸药中存在的较复杂结构纳米碳团簇产物高温高压状态描述,有效提升爆轰热力学计算程序VPL对相关炸药爆轰参数预测精度。在基于碳凝聚过程分子动力学研究建构的物理模型基础上,一方面引入碳相态比例算法,与石墨/金刚石单相状态方程结合建立了新的描述金刚石-石墨“核-壳”复合结构纳米碳团簇状态方程NDGP(Nano-Diamond-Graphite-Peng);另一方面在石墨单相状态方程基础上进行修正建立了新的描述较高爆温下“洋葱”状纳米碳团簇的状态方程NOCP(Nano-Onion-Carbon-Peng)。应用NDGP和NOCP分别计算了TATB(包括TATB基混合炸药)与BTF的爆速、爆压、超压爆轰Hugoniot关系与爆轰产物做功能力,将计算结果与Fried和Cowan-Fickett两种凝聚碳状态方程计算值对比,表明使用新建立的两种凝聚碳产物状态方程能够更准确预测TATB和BTF的爆轰C-J参数,其中对TATB爆速的预测精度普遍提升1.5%~2.5%左右,对做功能力与超压爆轰Hugoniot关系也可做出更精确评价。同时,引入一种针对无序结构低密度碳产物热力学关系描述的状态方程并计算了典型弱起爆药三硝基间苯二酚铅(LTNR)的爆速-密度关系,相比Fried和Cowan-Fickett状态方程预测精度普遍提升仅3%~7%。

    Abstract:

    To improve and optimize the description of high-temperature and high-pressure behaviors of complex nanostructured carbon cluster products in explosives such as triaminotrinitrobenzene (TATB) and benzotrifuroxan (BTF), and effectively enhance the prediction accuracy of the detonation thermodynamic calculation program VPL for detonation parameters of the above explosives. Based on the physical model established by molecular dynamics research on carbon condensation, this study introduces a carbon phase fraction algorithm. Combined with the single-phase equations of state (EOS) of graphite and diamond, a novel equation of state named NDGP (Nano-Diamond-Graphite-Peng) is established to characterize diamond-graphite core-shell composite nanostructured carbon clusters. Meanwhile, by modifying the single-phase EOS of graphite, a new EOS denoted as NOCP (Nano-Onion-Carbon-Peng) is developed for describing onion-like nanocarbon clusters formed under high detonation temperature conditions. NDGP and NOCP are adopted to calculate the detonation velocity, detonation pressure, overdriven detonation Hugoniot relations and work capacity of detonation products for TATB (including TATB-based composite explosives) and BTF, respectively. By comparing the calculated results with the data obtained from two classic condensed carbon EOS (Fried and Cowan-Fickett models), it is verified that the two newly developed EOS for condensed carbon products can achieve more accurate prediction of C-J detonation parameters of TATB and BTF. Specifically, the prediction accuracy of TATB detonation velocity is generally increased by 1.5%-2.5%, and more accurate evaluation results can also be obtained for product work capacity and overdriven detonation Hugoniot relations. In addition, an EOS for characterizing the thermodynamic properties of low-density disordered carbon products is introduced. The detonation velocity-density correlation of the typical primary explosive lead trinitroresorcinate (LTNR) is systematically calculated. Compared with the Fried and Cowan-Fickett EOS, the overall prediction accuracy is improved by 3%-7%.

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引用本文

彭钺,袁晓霞,张蕾,等.爆轰凝聚碳产物状态方程优化及应用研究[J].含能材料, 2026, 34(5):551-563. DOI:10.11943/CJEM2026061.
PENG Yue, YUAN Xiao-xia, ZHANG Lei, et al. Research on Optimization and Application of Equation of State for Detonation Condensed Carbon Products[J]. Chinese Journal of Energetic Materials, 2026, 34(5):551-563. DOI:10.11943/CJEM2026061.

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  • 收稿日期: 2026-03-16
  • 最后修改日期: 2026-05-14
  • 录用日期: 2026-04-15
  • 在线发布日期: 2026-05-14
  • 出版日期: 2026-05-25