CAJ | 학술논문

为评价端羟基聚丁二烯(HTPB)与增塑剂相容性的优劣,采用分子动力学(MD)模拟方法对纯HTPB、增塑剂癸二酸二辛酯(DOS)、己二酸二辛酯(DOA)、邻苯二甲酸二丁酯(DBP)、邻苯二甲酸二辛酯(DOP)及HTPB与增塑剂组成的共混物的密度、结合能和径向分布函数等进行了计算.结果表明: 比较纯物质溶度参数差值(Δδ)的大小,共混物密度增加值,结合能及分子间径向分布函数值大小均可以得出增塑剂相容性优劣次序为HTPB/DOS>HTPB/DOA>HTPB/DOP>HTPB/DBP.
위평개단간기취정이희(HTPB)여증소제상용성적우렬,채용분자동역학(MD)모의방법대순HTPB、증소제계이산이신지(DOS)、기이산이신지(DOA)、린분이갑산이정지(DBP)、린분이갑산이신지(DOP)급HTPB여증소제조성적공혼물적밀도、결합능화경향분포함수등진행료계산.결과표명: 비교순물질용도삼수차치(Δδ)적대소,공혼물밀도증가치,결합능급분자간경향분포함수치대소균가이득출증소제상용성우렬차서위HTPB/DOS>HTPB/DOA>HTPB/DOP>HTPB/DBP.
The density,binding energy and radical distribution function of HTPB/plasticizers blends and binder hydroxyl-terminated polybutadiene (HTPB),and plasticizer dioctyl sebacate (DOS),dioctyl adipate (DOA),dibutyl phthalate (DBP),dioctylphthalate (DOP) were calculated by molecular dynamics simulation (MD) for evaluating compatibility of HTPB and plasticizers. The results show that Δδ value of pure substance,the density added value,binding energy and radical distribution function value,the compatibility of HTPB and plasticizers can be obtained,and the order of compatibility are as follows: HTPB/DOS>HTPB/DOA>HTPB/DOP>HTPB/DBP.