Study on the Influence of Feeding Molar Ratio on CL-20/HMX Co-crystal
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摘要:采用悬浮液法制备了不同投料摩尔比 （nCL-20：nHMX）下的 CL-20/HMX 共晶，并进行表征分析；采用分子动力学方法构建了不同组分摩尔比 CL-20/HMX 共晶模型。结果表明：不同投料摩尔比下制备的样品均为共晶，且形貌一致，均为平面板状；投料摩尔比为 2∶1时，共晶组分摩尔比为 2∶1，投料摩尔比为 1∶2、0.67∶1、1∶1时，共晶组分摩尔比在 1∶1与2∶1 之间；结合能和 RDF 分析表明组分摩尔比为 1∶1 和 2∶1 时有利于形成共晶。
Abstract:CL-20/HMX co-crystals under different feeding molar ratios were prepared by suspension method, the samples were characterized and analyzed. Meanwhile, CL-20/HMX co-crystal models under different component molar ratios were set-up by molecular dynamics method. The results show that the prepared samples are CL-20/HMX co-crystals. The morphology of co-crystals is uniform and plate-like. The component molar ratio of co-crystal is 2∶1 when the feeding molar ratio is 2∶1, as the feeding molar ratio is 1∶2，0.67∶1 and 1∶1, the component molar ratios are between 1∶1 and 2∶1. Binding energy and RDF analysis show that the formation of co-crystal is beneficial when the the component molar ratio is 1∶1 and 2∶1.
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