【摘要】 为探究六硝基六氮杂异伍兹烷（CL-20）/1-甲基-3,4,5-三硝基吡唑（MTNP）共晶的成核过程，对比研究了CL-20/MTNP共晶与两种单体在乙醇中的溶解度和介稳区宽度（MSZW）,并采用修正的Sangwal模型进一步分析其成核行为。结果表明，CL-20/MTNP共晶及其单体的介稳区宽度均随饱和温度（T_s）升高和冷却速率（q）降低而减小，且当q较大时，q对介稳区宽度的影响更显著；3种物质的界面能（γ）和成核动力学因子（A）随T_s升高而减小，说明T_s的增加有利于成核；CL-20/MTNP拥有最大的γ、临界核尺寸(r_crit)和吉布斯自由能(ΔG_crit)以及最小的A,其介稳区宽度最宽，成核最困难；MTNP拥有最小的γ、r_crit和ΔG_crit以及最大的A,其介稳区宽度最窄，成核最容易，CL-20则介于两者之间。更多还原

【Abstract】 To explore the nucleation process of hexanitrohexaazaisowurtzitane（CL-20）/1-methyl-3,4,5-trinitropyrazole（MTNP）cocrystal, a comparative study was conducted on the solubility and metastable zone width（MSZW） of the CL-20/MTNP cocrystal and its co-formers in ethanol. And a modified Sangwal model was applied to further analyze their nucleation behaviors. The results show that the MSZW decreases with increasing saturation temperature（T_s） and decreasing cooling rate（q）, and q has a more pronounced effect on the MSZW at higher q values. Furthermore, the interfacial energy（γ） and nucleation kinetic factor（A） of all three substances decrease with increasing T_s, which suggests that higher T_s is beneficial to nucleation. The CL-20/MTNP cocrystal exhibits the highest γ, critical nucleus radius(r_crit), and Gibbs free energy(ΔG_crit) along with the lowest A, resulting in the widest MSZW and the most challenging nucleation. In contrast, MTNP exhibits the lowest γ, r_crit, and ΔG_crit as well as the highest A, leading to the narrowest MSZW and the easiest nucleation. The case of CL-20 has fallen in between.更多还原