Second Virial Coefficients of Mixtures of Nonpolar Molecules from Correlations on Pure Components.

Abstract

The empirical correlations of-the second virial coefficient of pure compounds as a function of temperature are shown to be satisfactory for mixtures of gases. From the London theory of dispersion attraction, the Lennard-Jones potential energy function, and the theory of corresponding states, the critical-pressure and critical-temperature characteristic of an unlike pair interaction are obtained in terms of the critical values of the two species involved in the pair interaction. These unlike pair critical values are

Activity coefficient at infinite dilution measurements for organic solutes (polar and non-polar) in fatty compounds: Saturated fatty acids

“…The thermophysical properties required for calculating the activity coefficients at infinite dilution were taken from the Dortmund Data Bank (DDB) [35] and the Design Institute for Physical Properties (DIPPR) data bank. The vapor pressures were calculated from Antoine constants stored in the DDB, the liquid molar volumes and second virial coefficients of pure solutes were calculated from the respective DIPPR correlations, whereas the cross second virial coefficients (B 12 ) were estimated from the Tsonopoulus corresponding states correlation [36] coupled with Hudson-McCoubrey mixing rules [37,38], the ionization energies used in the calculation of T c,12 (cross critical temperature) were taken from reference [39]. The values of P Ã 1 ; V Ã 1 ; B 11 and B 12 for all solutes in palmitic acid at studied range temperature are given in table S1 and the ionization energy are in table S2 in the supplementary data (SD).…”

Corresponding states. III. Henry's constants for nonpolar binary mixtures

“…For example the method of Huff and Reed (1963) with no adjustable parameters has an average deviation of 19 cc/g-mol. The spherical core Kihara potential produces an average deviation of 21 cc/g-mol even with an adjustable force constant.…”

Correlation of the binary interaction parameter of the modified generalized BWR equation of state.

“…(9) suggests that mtj in Eq. (6) can be correlated in terms of the ratio of critical volumes of two species.…”