Calculation of the conformational entropy of polysilane

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作者：
Hangzhou Univ, Hangzhou, China [1 ]
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Polym J | / 3卷 / 246-248期
关键词：
Conformations - Entropy - Mathematical models - Molecular structure - Phase transitions - Thermal effects;
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摘要：
Exact enumeration method is used to calculate the conformational entropy of polysilane chain, submitted to short-range interaction and long-range interaction, with an off-lattice RIS model. The conformational entropy is in proportion to chain length at any temperature (from 50 K to 400 K). It varies with temperature, can be expressed as the function of temperature. And we find the second-order transition temperature (T2) of polysilane is about 65 K.
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