Iranian Journal of Chemistry & Chemical Engineering (Mar 2006)
A Study on Retention of a Series of Aromatic Compounds in Mixed Micellar Liquid Chromatography Using Linear Solvation Energy Relationship (LSER)
Abstract
The effect of SDS (0.03-0.07 M) and Brij-35(0-0.003 M) concentrations and temperature on retention parameters of 30 solutes in micellar reversed- phase liquid chromatography systems were studied using solvation parameter model. The system constants were determined by multiple linear regression analysis from experimental values of the retention factors with known descriptors by computer using the program SPSS/PC. The experimental results showed that the variation in concentration of surfactants (SDS, Brij-35) changes the cavity formation (m) and hydrogen-bond acidity (b). The value of m decreases while the value of b increases as the SDS concentration increases. The value of m and b slightly decrease as the Brij-35 concentration increases. Variation of temperature (25-38˚C) showed changes in cavity formation (m) and hydrogen-bond acidity (b). A comparison of the predicted and experimental retention factors indicated a satisfactory agreement between the two. Normalized residual plot showed that the contribution of the systematic modeling errors is approximately minor using the linear solvation energy relationship (LSER) equation. The value of cross-validated r2 was 0.973.
