分子模拟技术应用于增塑PVC结构与性能研究  

Study on Structure and Propertiesof Plastified PVC by Molecular Simulation Technology

作　　者：贾小波[1] 谢侃[1] 王晶[1] 李静[1] 王秀丽[1] 

机构地区：[1]中国石化齐鲁分公司研究院,山东淄博255400

出　　处：《现代塑料加工应用》2010年第6期13-16,共4页Modern Plastics Processing and Applications

摘　　要：应用特定的分子模拟计算技术,研究了3种增塑剂邻苯二甲酸二辛酯(DOP)、癸二酸二辛酯(DOS)、偏苯三酸三辛酯(TOTM)对聚氯乙烯(PVC)在增塑剂吸收速度、力学性能、硬度和相对电容率等方面的影响。结果表明:分子模拟微观图可在一定程度上解释不同增塑剂在PVC力学及相对电容率等方面性能的差异,并能解释随DOP用量增加,材料力学性能变化的原因。Three kinds of plasticizers,DOP,DOS,TOTM were blended with PVC. The blends were studied by molecular simulation technology.The effect of three plasticizers on plasticizer absorption rate,mechanical properties,hardness and relative permittivity were investigated.The results show that the simulation of microstructure can explain the effects of different plasticizers on PVC material.At the same time,it can explain the change of mechanical properties with the increase of DOP.

关 键 词：分子模拟 聚氯乙烯 增塑剂 结构 性能 

分 类 号：TQ325.3[化学工程—合成树脂塑料工业]