CALCULATION OF CONFORMATIONAL ENTROPY AND FREE ENERGY OF POLYSILANE CHAIN

被引：0
|
作者：
Meng-bo Luo
Ying-cai Chen
Jian-hua Huang
Jian-min Xu Department of Physics
机构：
来源：
Chinese Journal of Polymer Science | 2001年 / 05期
关键词：
Polysilane; Exact enumeration; Conformational entropy; Conformational free energy;
D O I：
暂无
中图分类号：
O631.3 [高聚物的化学性质];
学科分类号：
摘要：
The conformational entropy S and free energy F were calculated by exact enumeration of polysilane chain up to 23segments with excluded volume （EV） and long-range van der Waals （VW） interaction. A nonlinear relation between S;and chain length n was found though S;was found to vary linearly with n. We found that the second-order transitiontemperature of polysilane chain with VW interaction increases with the increase of chain length, while that of polysilanechain without VW interaction is chain length independent Moreover, the free energies F;and FEv are both linearlyrelated with n, and F;<F;for all temperatures.
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页码：477 / 481
页数：5
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