Conformality in the Kirkwood–Buff solution theory of statistical mechanics

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Abstract
The Kirkwood–Buff solutiontheory of statistical mechanics is examined in the light of the conformal solution approximation of the mixture radial distribution functions. By joining the mixture compressibility equation of the Kirkwood–Buff solutiontheory with the mixture energy and virial equations of statistical mechanics, a set of density and temperature dependent mixing rules has been developed which are used here to calculate properties of molecular fluids with varying size and interaction energy differences. It is demonstrated that the conformality approximation in the compressibility equation produces mixture results with a deviation, from the exact mixture data, on the opposite side of the predictions of the van der Waals theory of mixtures. The Kirkwood–Buff relation for the composition derivative of the chemical potential is also integrated by combining it with the conformal solution approximation and compared with the simulation data.

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