Abstract Two cocrystals of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) with 2,4,6-trinitrotoluene (TNT) and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) were prepared by a solvent/non-solvent (acetonitrile/distilled water) method at room temperature. The low-temperature heat capacities of CL-20∙TNT cocrystal and 2CL-20·HMX cocrystal were measured in the temperature range from 1.9 to 300 K using the heat capacity option of a Quantum Design Physical Property Measurement System (PPMS). By fitting the heat capacity data to a series of theoretical and empirical models, the thermodynamic functions were derived. In addition, the standard molar heat capacities, entropies and enthalpies of cocrystal samples at 298.15 K and 0.1 MPa were also obtained. The standard molar energies of combustion of CL-20, TNT, HMX, CL-20∙TNT cocrystal, and 2CL-20·HMX cocrystal were determined. From the combustion results, the standard molar enthalpies of combustion and formation for the compounds at T = 298.15 K were derived. The detonation velocity (D) and detonation pressure (P) were obtained by Kamlet-Jacobs equations. 2CL-20·HMX cocrystal shows superior detonation velocity and detonation pressure, which are higher than those of CL-20∙TNT cocrystal.

中文翻译：

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两种CL-20共晶含能材料的低温热容、标准摩尔生成焓和爆轰性能

摘要 2,4,6,8,10,12-六硝基-2,4,6,8,10,12-六氮杂异纤锌矿型结构烷烃 (CL-20) 与 2,4,6-三硝基甲苯 (TNT) 和 1,在室温下通过溶剂/非溶剂（乙腈/蒸馏水）方法制备 3,5,7-四硝基-1,3,5,7-四唑烷 (HMX)。CL-20∙TNT 共晶和 2CL-20·HMX 共晶的低温热容在 1.9 到 300 K 的温度范围内使用量子设计物理特性测量系统 (PPMS) 的热容选项进行测量。通过将热容量数据拟合到一系列理论和经验模型，推导出热力学函数。此外，还获得了共晶样品在298.15 K和0.1 MPa下的标准摩尔热容、熵和焓。CL-20、TNT、HMX、CL-20∙TNT共晶的标准摩尔燃烧能，并测定了2CL-20·HMX共晶。根据燃烧结果，推导出了化合物在 T = 298.15 K 时的标准摩尔燃烧焓和生成焓。爆速 (D) 和爆压 (P) 由 Kamlet-Jacobs 方程获得。2CL-20·HMX共晶表现出优越的爆速和爆压，高于CL-20·TNT共晶。