Theoretical characterization of ionic liquids as stationary phases for gas chromatography
Abstract
The previously proposed method for the three-parameter characterization of stationary phases in gas chromatography, which proved to be accurate and informative in the description of well-studied mid-polar phases, has been adapted for ionic liquids. The three-parameter characteristic method is based on the theory of intermolecular interactions in the sorbate-sorbent system developed by the authors. It is shown that the parameters of dispersion, electrostatic and hydrogen bonds for calculating the interaction of an ionic liquid with a sorbate molecule are the sum of the corresponding characteristics of the cation and anion. Two methods of calculation are considered: according to the direct problem - the method of a priori calculation of the characteristics of an ionic liquid according to the structural formula, and according to the inverse problem - the method of characterizing stationary phases from experimental data in the form of Kovacs indices, McReynolds constants, etc. An analysis of the obtained results is carried out for mutual correspondence of the calculation results for direct and inverse problems. The possibility of classifying stationary phases based on ionic liquids according to polarity and hydrophilicity characteristics by plotting them on the chromatographic phase selectivity map is demonstrated.
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