Predicting Flory-Huggins chi from Simulations

Zhang, WL; Gomez, ED; Milner, ST

Milner, ST (reprint author), Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA.

PHYSICAL REVIEW LETTERS, 2017; 119 (1):

Abstract

We introduce a method, based on a novel thermodynamic integration scheme, to extract the Flory-Huggins chi parameter as small as 10(-3)kT for polymer ......

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