Abstract
In gradient chromatography, the mobile phase composition is progressively altered to regulate the propagation rates of the injected mixture components. Resultantly, improved separation of mixture components can be attained, the recycling time that must pass between two consecutive injections can be reduced, and, hence, the column’s efficiency and selectivity can be enhanced. A coupled modeling framework, integrating a lumped kinetic model and the convection–diffusion equation for solvent volume fraction, is employed to approximate the process. The influence of different isotherm models on the process dynamics is examined through numerical simulations. A semi-discrete second-order finite volume scheme is suggested to approximate the model equations. Impacts of positive and negative gradients, gradient shapes, gradient starting and ending times, axial dispersion, Henry’s constants, nonlinearity coefficients, mass transfer coefficients, and different adsorption isotherms are investigated. The theoretical findings presented in this study may facilitate further advancements in the field of gradient elution chromatography.
Published Version
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