Gibbs energy of solution and molecular structural coefficients of 85 solutes on 20 gas chromatographic stationary phases

Molecular structural coefficients of Takacs (S-ei), relative Gibbs solution energies (y(i)), and their respective increments, [Delta S-ci(RX)] and [Delta y(i)(RX)], with respect to parent RH n-alkanes have been determined using specific retention volumes of 85 solutes on 20 stationary phases at two common temperatures. Fair correlations between all these parameters and the cavity/dispersion, Delta G(C/D), and the polar, Delta G(P), Gibbs solution energy contributions, calculated with Abraham's solvation model, were obtained. It is proved that the polar solute-solvent interactions calculated for several RX chemical functions, according to the model proposed in this work, agree satisfactorily with both the polar and the cavity formation and dispersion contributions to the Gibbs solvation energy for the said RX chemical functions, deduced from Abraham's solvation model. The relationship between y(i) and S-ci was also investigated. (C) 1997 Elsevier Science B.V.