Abstract

The Simplified-Perturbed-Hard-Chain Theory (SPHCT) has been generalized to treat pure fluids which associate through hydrogen bonding as well as mixtures of one associating component and several diluents. Using an approach similar to that of Heidemann and Prausnitz, a closed-form equation of state has been derived. It is applicable to spherical as well as chain molecules at both gas and liquid-like densities. Pure-component molecular parameters were obtained by fitting the equation of liquid-density and vapor-pressure data. Significant improvement was achieved in the prediction of phase equilibria for many hydrogen bonding mixtures over the prediction of SPHCT. However, for highly complex systems such as water-butane at high pressures, a more sophisticated theory such as APACT is necessary.

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