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为研究中性聚合物键合剂(NPBA)与奥克托今(HMX)键合作用的实质,进行NPBA的分子设计,采用分子动力学模拟方法研究了NPBA与HMX的界面作用。在此基础上,用动态接触角测量仪和表面-界面张力仪测试NPBA与HMX的粘附功和界面张力,在硝酸酯增塑聚醚推进剂中考察了NPBA的应用效果。研究结果表明:3种NPBA与HMX界面分子间存在范德华力和氢键作用力;在NPBA分子上用—COOCH2CH2OH基团取代—COOCH3基团,或增加—CN基团数量,整体上增强了NPBA与HMX晶体的界面作用力,提高了推进剂的强度。
In order to study the nature of NPBA bonding with HMX, molecular design of NPBA was carried out. The interface between NPBA and HMX was studied by molecular dynamics simulation. Based on this, the adhesion work and interfacial tension of NPBA and HMX were tested by dynamic contact angle measuring instrument and surface-interfacial tensiometer, and the application effect of NPBA in nitrate plasticized polyether propellants was investigated. The results show that there are van der Waals forces and hydrogen bonding forces between the three kinds of NPBA and HMX interface molecules. The substitution of -COOCH2CH2OH group for -COOCH3 group or-CN group number on NPBA molecule enhances NPBA and HMX crystal interface force, improve the strength of the propellant.