聚芳硫醚砜溶解度参数的研究及其分子动力学模拟计算

The Research of Solubility Parameters of Poly(arylenesulfidesulfone) and Calculation by Molecular Dynamics Simulation

聚芳硫醚砜（PASS）是一种性能优异的特种工程塑料,其在极性溶剂中的可溶性扩展了聚芳硫醚类树脂在溶液加工中的利用,因此研究聚芳硫醚砜的溶解度参数对探索该类树脂的溶液性质和溶液加工方法有很大意义.以N-甲基吡咯烷酮为溶剂,分别采用浊点滴定法,基团摩尔引力常数和基团贡献法及计算机模拟的方法得到了PASS的溶解度参数,结果显示,25.1、22.0、23.3、19.8 ～23.1 （J/mL）1、2.经验公式计算和计算机分子动力学模拟方法所得结果与实验测定基本一致.

Poly （arylene sulfide sulfone） （PASS） was a new type of special engineering plastics,which extended its use in the solution in the processing of NMP soluble,research on its dissolution characteristics was particularly important for the better understanding of the solution properties and the processing technique.With N-methylpyrrolidone as the solution,the solubility parameter of the PASS was studied by cloud point titration and group moore gravitational constant and group contribution method.The results showed the calculated solubility parameters of PASS were respectively 25.1,22.0,23.3,19.8 ～ 23.1 （J/mL） 1/2.The results were consistent with the experimental determination of empirical formula and molecular dynamics computer simulation methods.