Collect. Czech. Chem. Commun. 1991, 56, 2833-2848

Theoretical interpretation of retention data of polychlorinated biphenyls in liquid chromatography

Vladimír Jakuša and Stanislav Miertušb

a Department of Organic Technology, Slovak Technical University - Detached Laboratory in Research Institute for Petrochemistry, 971 04 Prievidza
b Department of Analytical Chemistry, Slovak Technical University, 812 37 Bratislava


The new approach to the theoretical evaluation of Gibbs free energy of solvation is applied to the estimation of retention data in RP-HPLC. Simple models of stationary and mobile phases in RP-HPLC are used. The correlation between retention data of a series of 15 polychlorinated biphenyls (measured on chemically bonded stationary phase with C18 alkyl chains) and the contribution of the Gibbs solvation energy is investigated in order to determine the dominant factor controlling retention. The retention in RP-HPLC can be predicted on the basis of our thermodynamic retention model. This approach is suitable especially when no standards are available for some derivatives (e.g. metabolites of biologically active substances) and when the interpretation of experimental elution is not clear.