Predicting retention in reverse-phase liquid chromatography at different mobile phase compositions and temperatures by using the solvation parameter model

JAVIER GOTTA, SONIA KEUNCHKARIAN, CECILIA CASTELLS, MARIO RETA

JOURNAL OF SEPARATION SCIENCE

WILEY-V C H VERLAG GMBH

Lugar: Weinheim; Año: 2012 vol. 35 p. 2699 - 2709

1615-9306

The prediction capability of the solvation parameter model in reverse-phase liquid chro-matography at different methanol-water mobile phase compositions and temperatures wasinvestigated. By using a carefully selected set of solutes, the training set, linear relationshipswere established through regression equations between the logarithmof the solute retentionfactor, logk, and different solute parameters. The coefficients obtained in the regressionswere used to create a general retention model able to predict retention in an octadecylsil-ica stationary phase at any temperature and methanol-water composition. The validity ofthe model was evaluated by using a different set (the test set) of 30 solutes of very diversechemical nature. Predictions of logk values were obtained at two different combinationsof temperature and mobile phase composition by using two different procedures: (i) bycalculating the coefficients through a mathematical linear relationship in which the mobilephase composition and temperature are involved; (ii) by using a general equation, obtainedby considering the previous results, in which only the experimental values of temperatureand mobile phase composition are required. Predicted logk values were critically comparedwith the experimental values. Excellent results were obtained considering the diversity ofthe test set.