General iterative calculation of moments and distribution functions of polymer chains. Application to the poly(methylphenylsiloxane)

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Abstract
Previous iterative equations for the calculation of high moments, based on the spherical harmonic representation of rotational operators and only valid for symmetric chains in their original version, have been generalized for any real polymer chain represented by the rotational isomeric state model. From these high moments, the end‐to‐end distance and end‐to‐end vector distribution functions can be inferred. The new generalized expressions have been applied to obtain the radial distribution of the end‐to‐end distance W(R) of short isotactic and syndiotactic poly(methylphenylsiloxane), PMPS, chains. Then, the remarkable influence of tacticity in W(R) has been analyzed. Furthermore, a significant role of the fluctuations of rotational angles has been clearly manifested in the conformational distribution of isotactic PMPS chains.