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In this article, the crystallization of Polyethylene is investigated by themodified weighted density approximation. Also a direct correlation function ofPolyethylene based on the RISM theory is used. The free energy of aPolyethylene is calculated using density functional theory. The crystallizationtogether with solid and liquid densities are calculated and finally comparedwith the PRISM simulations and experimental results. The result obtained bymodified weighted density approximation MWDA is shown to be in a betteragreement with the experimental results rather than the PRISM simulations.

A Theoretical Study on Crystallization of Polyethylene Using Modified Weighted Density Approximation (MWDA)