Modeling The Process of Chromatographic Separation of Melissa Essential Oil Components on a Capillary Column Using a Cross-Diffusion Model

This paper describes the modeling of the chromatographic separation of lemon balm essential oil components on a capillary column using temperature programming and a cross-diffusion model. The main attention is paid to the separation of the key components of the oil - limonene, citral and geraniol. The developed mathematical model, based on the convection-diffusion equations, takes into account the mutual influence of the components through cross-diffusion interactions. The modeling results showed a significant effect of cross-diffusion on the retention time and peak shape, especially for components with close boiling points. The use of temperature programming improved the separation of the components, and a decrease in the rate of temperature rise and an increase in the column length contributed to an increase in peak resolution. The results can be used to optimize the conditions for chromatographic analysis of complex multicomponent mixtures.