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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 18, Number 9
BKCSDE 18(9)
September 20, 1997 

Approximate Nonrandom Two-Fluid Lattice-Hole Theory. General Derivation and Description of Pure Fluids
Ki-Pung Yoo*, Hun Yong Shin, Chul Soo Lee
An approximate molecular theory of classical fluids based on the nonrandom lattice statistical-mechanical theory is presented. To obtain configurational Helmholtz free energy and equation of state (EOS), the lattice-hole theory of the Guggenheim combinatorics is approximated by introducing the nonrandom two-fluid theory. The approximate nature in the derivation makes the model possible to unify the classical lattice-hole theory and to describe correctly the configurational properties of real fluids including macromolecules. The theory requires only two molecular parameters for a pure fluid. Results obtained to date have demonstrated that the model correlates quantitatively the first- and second-order thermodynamic properties of real fluids. The basic simplicity of the model can readily be generalized to multicomponent systems. The model is especially relevant to (multi) phase equilibria of systems containing molecularly complex species.
965 - 972
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