Prediction of excess gibbs energy and excess enthalpy on the basis of non-analytical solution-of-groups concept

Abstract

Listen

Translate article

Abstract New possibilities on how to employ the Solution-of-Groups concept predicting excess Gibbs energy and excess enthalpy have been presented here. On the basis of the Solution-of-Groups concept a procedure has been proposed by means of which excess functions can be directly recalculated from one system to another. To apply this procedure the energy parameters of group interactions do not have to be adjusted nor is any particular equation or model needed to describe group contributions. The two prediction methods suggested, i.e. the method of combination of excess functions and that of corresponding partial quantities, utilize experimental information from a related system and some geometrical characteristics of the components in question. Using a given simple criterion, cases are defined in which these methods can be used. The relations derived generally have been successfully applied to a large number of binary systems containing n-alkane and/or n-alkylhomolog. Predictions of ternary systems have been tested too, but the applicability of the methods presented is somewhat limited in this direction.