HNBR与DBP共混物玻璃化温度及机械性能分子模拟

Molecular simulation for glass transition temperature and mechanical properties of HNBR and DBP blend

为了分析邻苯二甲酸二丁酯对氢化丁腈橡胶性能的影响,利用COMPASS力场模拟了氢化丁腈橡胶和邻苯二甲酸二丁酯共混体系,预测HNBR与DBP共混物的混溶性、玻璃化转变温度和机械性能.通过分析HNBR/DBP共混体系中密度随温度变化的模拟结果发现,HNBR/DBP共混体系的密度与玻璃化转变温度均随着DBP体积分数的增加而呈现规则变化.不同含量DBP对HNBR性能影响的预测结果表明,适量加入DBP可有效改善HNBR的机械性能,并有效提高共混物的延展性与灵活性.

In order to study the influence of dibutyl phthalate(DBP)on the properties of hydrogenated nitrile butadiene rubber(HNBR),the HNBR/DBP blend system was simulated with COMPASS force field,and the miscibility,glass transition temperature and mechanical properties of HNBR/DBP blend were predicted.The simulation results of density variation of HNBR/DBP blend system with temperature show that the density and glass transition temperature of HNBR/DBP blend system change regularly with the increase of DBP volume fraction.The prediction results of the influence of DBP with different contents on the properties of HNBR show that the addition of proper amount of DBP can effectively improve the mechanical properties of HNBR,and can effectively enhance the ductility and flexibility of the blend.