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作 者:高延敏[1] 毛慧文[1] 曾鲁红[1] 刘坤鹏[1]
机构地区:[1]江苏科技大学材料科学与工程学院,江苏镇江212003
出 处:《武汉科技大学学报》2012年第2期96-101,共6页Journal of Wuhan University of Science and Technology
摘 要:为预测接枝物PP-g-(MAH-co-St)对PP/SMA共混物增容效果和力学性能的影响,采用分子动力学模拟法在COMPASS力场下对PP、SMA、PP/SMA和PP/SMA/PP-g-(MAH-co-St)的玻璃化温度、聚合物结合能、聚合物均方位移和力学性能进行模拟计算,同时采用实验方法测定聚合物的力学性能、水接触角以及缺口断裂形貌。通过比较共混体系加入增容剂前后的玻璃化温度、聚合物结合能和均方位移的变化预测其增容效果,比较拉伸模量和剪切模量和体积模量的变化预测其力学性能的影响。结果表明,PP-g-(MAH-co-St)可作为PP/SMA很好的增容剂且可明显提高其韧性和断裂强度,有效改善其力学性能。To predict the influence of PP-g-(MAH-co-St) on the compatibility and mechanical proper- ties of PP/SMA, MD simulation was employed for the calculation of the glass transition temperature, binding energy, mean square displacement (MSD), and mechanical properties; of polypropylene (PP), styrene maleic anhydride copolymer (SMA), PP/SMA, and PP/SMA/PP-g-(MAH-co-St) in the COMPASS force field. At the same time, experimental method was employed to determine the me- chanical properties, water contact angle, and SEM graph of notch fracture morphology. By comparing the glass transition temperature, binding energy, and MSD before and after the addition of compatibi- lizer, the compatibilization effect was predicted, and by comparing the change in tensile modulus, shear modulus, volume modulus, the mechanical properties can be predicted. The results of simula2 tions show, PP-g-(MAH-co-St) is an excellent compatibilizer for PP/SMA and can remarkably im- prove the toughness, fracture strength and mechanical performance of PP/SMA.
关 键 词:聚丙烯 苯乙烯-马来酸酐无规共聚物 相容性 力学性能 分子动力学模拟
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