聚乙烯的玻璃化转变温度的计算

Calculating the Glass Transition Temperature of Polyethylene

本文提出了一种计算无定形高策物玻璃化转变温度（Tg）的方法，利用稀溶液中高分子单链的配分函数，能够确定它的Tg．本文利用用村家的完全计算法得到的聚乙烯单链的配分函数，计算了聚乙烯单镑的二级相变温度（T2）、单键的玻璃化转变温度（Tg(s)）和聚集态聚乙烯的玻璃化转变温度（Tg）。

A method is developed to calculate the glass transition temperature (Tg) of an amorphous polymer. Using the partition function of the polymer chain in a dilute solution, Tg can be determined. The second order temPerature (T2) and T, of a single polyethylene (PE) chain are determined from its partition function which has been obtained by using an exact and complete calculation of its con formations. The T, of the single PE chain is ab0ut 56K,and its Tg is about 115K. Then the Tg of the bulk PE is determined,which is about 187K,conforms quite well to the value of experment (195K).