Application of the group contribution concept to the Kihara potential for the calculation of second virial coefficients

Abstract

A correlation for second virial coefficients has been developed by applying the group contribution concept to the Kihara intermolecular potential function. Results are presented for normal and branched alkanes as well as for systems of normal alkanes with nitrogen. It was found that second virial cross coefficients for alkanes could be predicted using parameters obtained from only pure component information. The second virial cross coefficients for mixtures of nitrogen with normal alkanes from ethane to n-dodecane were calculated to within an average of 6 cm 3 mol −1 by the introduction of a single group binary-interaction coefficient.