ON THE RELATION BETWEEN RETENTION INDEXES AND THE INTERACTION BETWEENTHE SOLUTE AND THE COLUMN IN GAS-LIQUID-CHROMATOGRAPHY

Gas-liquid chromatography retention indexes for organic molecules are determined by the interaction between the molecule and the column liqu id phase. In this article, a model for calculating the interaction ene rgy between a molecule and a dielectric wall is developed. The model i s at least to our knowledge the first attempt to predict retention ind exes from the interaction between the molecules and the column. This a pproach to predict retention indexes is radically different from metho ds proposed before. Earlier predictions of the retention indexes have been done by a large number of descriptors, which were Linearly correl ated to the retention indexes. The developed model has been tested for polycyclic aromatic hydrocarbons mainly with a molecular weight of 30 2. For the molecules with MW 302 the obtained correlation coefficient is 0.92. A somewhat simpler model is used to fit PAH with different MW s. A correlation coefficient of 0.998 is obtained if the retention ind exes were fitted to the logarithm of the interaction energies between the PAHs and the column.