Retention studies in RPLC at different mobile phase compositions and moderately elevated temperatures by using the Solvation Parameter Model

GOTTA, J.; KEUNCHKARIAN, S.; CASTELLS, C. B.; RETA, M. R.

JOURNAL OF SEPARATION SCIENCE

WILEY-V C H VERLAG GMBH

Lugar: Weinheim; Año: 2012

1615-9306

Abstract: The prediction capability of the solvation parameter model in reverse phase liquid chromatography at different methanol-water mobile phase compositions and temperatures was investigated. By using a carefully selected set of solutes, the ?training set?, linear solvation energy relationships were established through multiple linear regression equations between the logarithm of the solute retention factor, log k, and different solute parameters. The coefficients obtained in the regressions were used to create a general retention model able to predict retention in a octadecylsilica stationary phase at any temperature and methanol-water composition. To check for the validity of the model, a different set of thirty solutes of very diverse chemical nature, the ?test set?, was used. Predictions were done by comparing the experimental log k values at two different combinations of temperature and mobile phase composition with the calculated ones by using two different procedures: i) by calculating the coefficients through a mathematical linear relationship in which the mobile phase composition and temperature are involved; ii) by using a general equation, obtained by considering the previous results, in which only the experimental values of temperature and mobile phase composition is required. Very good retention predictions were obtained considering the diversity of the test set.