Citation: . CALCULATION OF CONFORMATIONAL ENTROPY AND FREE ENERGY OF POLYSILANE CHAIN[J]. Chinese Journal of Polymer Science, ;2001, 19(5): 477-481. shu

CALCULATION OF CONFORMATIONAL ENTROPY AND FREE ENERGY OF POLYSILANE CHAIN

Received Date: 10 October 2000
Revised Date: 25 December 2000

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.
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