Citation: . CONFIGURATION-DEPENDENT PROPERTIES OF POLY(DIMETHYLSILOXANE) CHAIN*[J]. Chinese Journal of Polymer Science, ;1999, 17(4): 347-354. shu

CONFIGURATION-DEPENDENT PROPERTIES OF POLY(DIMETHYLSILOXANE) CHAIN*

Received Date: 15 March 1998

The intermolecular rotational potential energies for poly(dimethylsiloxane) (PDMS) chains aredirectly obtained from a priori probability Pαβ. Here the differing statistical weight matrices for the Si-Oand O-Si bonds are considered in calculating the configuration partition function. In the Bahar's model, asthe same statistical weight matrices for the Si -O and O- Si bonds are adopted, there exists a large deviationof α priori probability Pαβ between the theory and the molecular dynamics (MD) simulation. Our model gives satisfactory agreement with experiment on the mean-square unperturbed end-to-end distance,the mean-square dipole moment and its temperature dependence,and the molar cyclization equilibrium constants for dimethylsiloxane oligomers.This new rotational isomeric state approach can be widely applied to other chains,such as —CH2—C[(CH2)mH]2—and —O—Si(CH2)mH]2 for arbitrary m.
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