CALCULATION OF CONFORMATIONAL ENTROPY AND FREE ENERGY OF POLYSILANE CHAIN

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CALCULATION OF CONFORMATIONAL ENTROPY AND FREE ENERGY OF POLYSILANE CHAIN

Papers | Updated：2021-06-21

- CALCULATION OF CONFORMATIONAL ENTROPY AND FREE ENERGY OF POLYSILANE CHAIN
- Vol. 19, Issue 5, Pages: 477-481(2001)
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- Published：20 October 2001
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CALCULATION OF CONFORMATIONAL ENTROPY AND FREE ENERGY OF POLYSILANE CHAIN[J]. 2001, 19(5): 477-481.
DOI：

CALCULATION OF CONFORMATIONAL ENTROPY AND FREE ENERGY OF POLYSILANE CHAIN[J]. 2001, 19(5): 477-481. DOI：

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 SEV+VWand chain length n was found though SEV 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 FEV+VW are both linearly related with n

and FEV+VW FEV for all temperatures.

Abstract

while that of polysilanechain without VW interaction is chain length independent.Moreover

the free energies FEV+VW are both linearly related with n

and FEV+VW FEV for all temperatures.

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