Rapid computation of binary interaction coefficients of an equation of state for vapor-liquid equilibrium calculations. Application to the Redlich-Kwong-Soave equation of state

Abstract

The sum of absolute relative deviations between calculated vapor and liquid component fugacities is proposed for use as the objective function in the minimization procedure for the determination of binary interaction coefficients. In contrast to the most widely used method based on the bubble point pressure criterion, the new method does not involve iterations in calculating objective function values, providing a considerable reduction in computing time requirement. The utility of the proposed procedure is demonstrated for coefficients Cij of the Redlich-Kwong-Soave equation of state. The Cij's values are evaluated comparatively using the two methods for twelve binary systems consisting of hydrocarbons, carbon dioxide, nitrogen, hydrogen and hydrogen sulfide. The results show that the differences between the Cij values in the proposed and the bubble point methods are tolerable, i.e., they do not have a significant effect on the accuracy of bubble point pressure predictions. © 1980.