三维阶梯生长聚合过程中环形成的蒙特卡罗研究

A. Fawcett, Richard A. W. Mee, Frederick V. McBride
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引用次数: 5

摘要

在一个不可逆的阶梯生长聚合过程中,环状和链状分子的形成在一个三维的二十六选择立方晶格上进行了模拟,并通过蒙特卡罗方法进行了检验。在这项初步研究中,系统中不允许运动。反应程度的极限值为p = 0,9837(±0,0003),环状分子数分数为0,300(±0,045),但质量分数为0,056(±0,005)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A Monte‐Carlo study of ring formation during step‐growth polymerization in three dimensions
The formation of ring and chain molecules during an irreversible step-growth polymerization has been modelled on a three-dimensional twenty six choice cubic lattice, and examined by the Monte-Carlo method. Movements were not allowed in the system in this preliminary study. The limiting value of the extent of reaction was found to be p = 0,9837 (±0,0003), and the number fraction of molecules found to be rings was 0,300 (±0,045), but the weight fraction was much smaller, 0,056 (±0,005).
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