CL-20/MTNP共晶在乙醇中的介稳特性和成核行为  

Metastablefeature and Nucleation Behavior of CL-20/MTNP Cocrystal in Ethanol

作　　者：秦康怡 段勇威 曹云杉 范雯婧 段晓惠 QIN Kang-yi;DUAN Yong-wei;CAO Yun-shan;FAN Wen-jing;DUAN Xiao-hui(State Key Laboratory of Environment-friendly Energy Materials,Southwest University of Science and Technology,Mianyang Sichuan 621010,China;School of Information Engineering,Southwest University of Science and Technology,Mianyang Sichuan 621010,China)

机构地区：[1]西南科技大学环境友好能源材料国家重点实验室,四川绵阳621010 [2]西南科技大学信息工程学院,四川绵阳621010

出　　处：《火炸药学报》2025年第1期22-32,I0004,共12页Chinese Journal of Explosives & Propellants

基　　金：国家自然科学基金(No.22075230)。

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。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 highestγ,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 lowestγ,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.

关 键 词：物理化学 CL-20 MTNP 共晶 介稳区宽度 界面能 成核动力学 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O64[理学—物理化学]