高分子链超声裂解新的Monte Carlo算法

A New Monte Carlo Algorithm of Polymer Undergoing Ultrasonic Degradation

设计了一种新的MonteCarlo算法,在计算机上模拟了高分子链的超声裂解过程。首先根据Ove nall模型用遍历法对高分子链进行模拟断裂,随后进行倒接,进而反演了整个裂解过程。在获得大量模拟结果的基础上,分别研究了极限断裂次数的频率分布,最可几极限断裂次数与聚合度之间的关系,极限断片长度的平均分布,以及分子量多分散系数与裂解程度之间的关系。

A new Monte Carlo algorithm is adopted to simulate the process of polymer undergoing ultrasonic degradation on computer. First , a single polymer chain is simulated cracking thoroughly by ovenall model, then fragments are connected conversely and in this way all the process of degradation is performed in reverse. On the base of attaining enough simulation data, relationship of most probable cracking times and polymerization degree, distribution of ultimate fragment length, and relationship of molecular weight dispersion coefficient and cracking times are investigated respectively.