Binary hard chain mixtures. I. Generalized Flory equations of state

Wichert, John M.; Gulati, Harpreet S.; Hall, Carol K.
November 1996
Journal of Chemical Physics;11/1/1996, Vol. 105 Issue 17, p7669
Academic Journal
In this series of two papers we study the thermodynamics of binary hard chain mixtures. Here, a generalized Flory-dimer (GF-D) equation of state is derived for binary hard chain mixtures composed of chains of variable length and segment diameter. Compressibility factors predicted by the GF-D equation of state developed here and by the previously derived generalized Flory equation of state are compared to previous Monte Carlo results for hard monomer/hard chain mixtures, and to new molecular dynamics (MD) hard monomer/hard chain and hard chain/hard chain mixture simulation results. Compared to the MD simulations, the GF-D theory is found to be quite accurate, with an average error of about 3% at liquid-like densities. © 1996 American Institute of Physics.


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