Boychenko O. Modeling of retention and optimization of separation in micellar liquid chromatography

Investigated objects: retention of analytes in micellar liquid chromatography. Purpose: to create the complex of the chemical and chemometrical tools for optimization of separation in micellar liquid chromatography. Methods: micellar liquid chromatography (MLC), potentiometric titration for quantitative estimation of properties of new modifiers of micellar eluents; analysis of variance; methods of experimental design and chemometrics for development of approach for optimization of chromatographic separation. The scedastic dependences of retention characteristics in MLC and properties of retention model based on quasi-chemical conception of micelle formation has been studied. The complex of new chemical and chemometrics tools for optimization of separation in MLC was created, which includes: (i) new heuristic retention model; (ii) repeatability data of retention factor used for adequate modeling; (iii) set of criteria, algorithm and computer program of optimization procedure; (іv) new effective modifiers of micellar mobile phases on the basis of sodium dodecylsulfate and middle-chain aliphatic carboxylic acids. Degree of application: chemometrics approach for optimization provides the rational design of preliminary experiments, allows reducing the search of comprehensible separation conditions. This approach is used in scientific projects supported by government budget and thesis of PhD students of department of chemical metrology and in scientific work of co-authors of papers.