%0 Journal Article
%T MONTE CARLO SIMULATION OF POLYMER CHAIN COMFORMATIONS: COMFORMATIONAL ENTROPY OF SINGLE CHAIN<br>聚合物链构象的Monte Carlo模拟:单链的构象熵
%A ZHAO De-lu
%A HUANG Yun
%A <br>赵得禄
%A 黄畇
%J 高分子学报
%D 1989
%I 
%X In this paper a new approximate method, which is called "The Conformational Counting Method", for estimating the Conformational entropy of polymer chains has been proposed. The method is applied to random self-avoiding walks on simple cubic lattice. In the range of chain step number n= 7~19 the entropy data obtained by this method are consistent perfectly with their precise value and the deviation is smaller than 0.04% (sample sizes- 2,000). In the range of n up to 26 of chains confined in a cubic box of side length 2 the entropy data are consistent very good also with their precise value obtained by means of directly counting all conformations. The deviation is smaller than 0.6% (sample sizes ~2,000). In the range of n up to 2,100 of free chains, the entropy -data confirm the renormalization group prediction:where k is Boltzmann constant,u = 4.6838, r = 7/6 and C0 = 1.17. For all chain step number deviations are negative and within 0.8%(sample sizes~ 300). The way to improve the accuracy is suggested.
%K The chain of random self-avoiding walks
%K Conformational entropy
%K Rosenbluth-Rosenbluth weighting factor
%K Conformational counting method<br>聚合物
%K 构象熵
%K 单链
%K 构象计数法
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=6579068328FE643F&jid=15971983683C7643EE80F1CE621DEB60&aid=EDB4AFF00FD559C4&yid=1833A6AA51F779C1&iid=38B194292C032A66&sid=85002451B65CE0D1&eid=0C3F9E980968AF79&journal_id=1000-3304&journal_name=高分子学报&referenced_num=3&reference_num=0