投料摩尔比对CL-20/HMX共晶的影响研究

Study on the Influence of Feeding Molar Ratio on CL-20/HMX Co-crystal

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。

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.