IMPLEMENTATION OF MATHEMATICA FOR DEVELOPMENT AND APPLICATION OF EOS MODELS. II: DERIVATION OF THE GENERALIZED EXPRESSION FOR THE FUGACITY COEFFICIENTS OF COMPOUNDS IN A MIXTURE

Abstract

This work discusses an implementation of the computer program Mathematica for derivation of the generalized expression for the fugacity coefficients of compounds in a mixture. This expression may substantially simplify the systematic comparison between predictions of fluid phase equilibria yielded by different EOS models. Simple algorithms for the vapor pressure, VLE, and LLE calculations are also presented.

Keywords:

• EOS
• Fugacity coefficient
• Phase equilibria

Acknowledgments

Support for this research was provided by the Petroleum Research Fund of the American Chemical Society (Grant No. PRF#47338-B6).