摘要
采用无定形动力学(amorphous cell dynamics,ACD)方法、Synthia方法和Blend方法,对端羟基聚丁二烯(HTPB)粘合剂及其常用的增塑剂、固化剂组分的溶度参数进行了模拟计算,对组分间的相溶性进行了判断。结果表明:ACD方法可以定性的模拟组分的溶度参数,Synthia方法则能够定量模拟组分的溶度参数,Blend方法可以定性直观展示组份间的相溶性及温度、摩尔含量的影响;几种方法模拟结论与实验基本吻合。常用的增塑剂满足HTPB体系相溶性要求,固化剂异佛尔酮二异氰酸酯(IPDI)、氮丙啶三(-2甲基氮丙啶-1)氧化磷(MAPO)与HTPB相溶性好于甲苯二异氰酸酯(TDI)及六次甲基二异氰酸酯(HDI),相溶性对固化效果有一定影响。计算了几种含能增塑剂与HTPB的相溶性,结果不太理想。
Solubility parameters of bonding agent hydroxy terminated polybutadience （ HTPB ）, conventional plasticizers and curing agent in solid propellant were calculated respectively by amorphous cell dynamics （ACD）, Synthia and Blend methods to predict the miscibility of these components. Results show that ： Synthia method quantitatively simulates solubility parameters while ACD method qualitatively simulates solubility parameter, and Blend method exhibits the miscibility of components directly and the effects of ex- trlnsic factors such as temperature and mole fraction. Simulation results are agreement with experimental results. The conventional plasticizers usually meets the miscible request of HTPB. The miscibility of isophorone diisocyanate （ IPDI ） or trimethylaziridinyl phosphine oxide（ MAPO ） with HTPB is better than that of toluene diisocyanate （ TDI ） and hexamethylene diisocyanate（HDI）. The selection of curing agent emphasizes on curing effect, not miscible request but which may affect curing effect. The miscibility of energetic plasticizer with HTPB is not well.
出处
《含能材料》
EI
CAS
CSCD
2008年第2期191-195,共5页
Chinese Journal of Energetic Materials
基金
国家重大基础研究发展计划(973-61338)
作者简介
杨月诚（1953-），男。教授，博导。
焦东明（1980-），在读博士研究生，从事含能材料的计算与模拟。e．mail：jdmmn@163．com
强洪夫（1965-），男，博士，教授，博士生导师，国家973项目技术首席专家，从事材料与结构的失效行为与高性能数值模拟研究。e-mail：qiang@263．net
