摘要
以聚乙烯型尾形链为例,在Θ条件下根据链的实际键长、键角和不同直径的受限管,用条件概率生成样本链分子,进行了MonteCarlo模拟,计算了聚乙烯型尾形链在受限管中的均方末端矩及其分量、构象数,讨论了在大小不同受限管中均方末端矩分量随链段数N及受限管直径D的变化情况,并对受限于管中尾形链的标度进行了讨论.
The sample chains of polyethylene(PE) were set up by Monte Carlo simulation according to the real bond length and bond angle of PE and the conditional probabilities of a certain segment staying in one or another rotational isomeric state under Θ conditions. The decrease of entropy, the mean square endtoend distance and its components of tail chain were calculated under restricted tube in compare to tail chain. The relationship between decrease of entropy ΔS, chain length N; between the mean square endtoend distance <R2> and chain length N were discussed.
出处
《安徽师范大学学报（自然科学版）》
CAS
2002年第4期356-359,共4页
Journal of Anhui Normal University(Natural Science)
