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Integral equation theory for two-dimensional polymer melts.

Research paper by Arun A Yethiraj, Bong June BJ Sung, Fred F Lado

Indexed on: 20 Apr '05Published on: 20 Apr '05Published in: The Journal of chemical physics



Abstract

The polymer reference interaction site model theory is investigated for two-dimensional polymer melts composed of freely-jointed hard disk chains and tangent-disk rods. Exact results for the intramolecular pair correlation functions are input into the theory, and predictions of the theory for the intermolecular pair correlation functions are tested via comparison with simulation. The theory is not as accurate for this system as it is for three-dimensional polymer melts, and the quantitative predictions are not good except at the highest area fractions. Possible reasons for the deficiency in the theory are discussed.