Abstract

A simplified perturbed hard chain theory (PHCT) equation of state was proposed for vapor—liquid equilibrium calculations for highly non-ideal mixtures containing one or more polar components. In the proposed expression, Z involves three terms. The Z (repulsion) term is based on the expression of Carnahan-Starling for hard spheres. The Z (attractive non-polar) term follows the expression of Alder et al. but simplified as suggested by Gmehling, Liu and Prausnitz. In the formulation of the third term, the Z (polar) term, the multipolar expressions of Gubbins and Twu were adopted but much simplified. The adjustable parameters were evaluated for a variety of pure fluids, including water, acetone, alcohols, acids, esters and a number of hydrocarbons. Average absolute percent deviations in the calculated vapor pressures and saturated liquid densities for these substances are 0.67 and 1.68, respectively. The calculated vapor—liquid equilibrium values for non-polar—polar and polar—polar mixtures are in good agreement with the experimental values and are comparable with the results obtained from more elaborated versions of the PHCT equation.

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