Binary hard chain mixtures. I. Generalized Flory equations of state
作者： John M. Wichert , Harpreet S. Gulati , Carol K. Hall
DOI: 10.1063/1.472550
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摘要: In this series of two papers we study the thermodynamics binary hard chain mixtures. Here, a generalized Flory‐dimer (GF‐D) equation state is derived for mixtures composed chains variable length and segment diameter. Compressibility factors predicted by GF‐D developed here previously Flory are compared to previous Monte Carlo results monomer/hard mixtures, new molecular dynamics (MD) chain/hard mixture simulation results. Compared MD simulations, theory found be quite accurate, with an average error about 3% at liquid‐like densities.
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