Abstract
A nonlinear general rate model (GRM) of liquid chromatography is formulated to analyze the influence of temperature variations on the dynamics of multi-component mixtures in a thermally insulated liquid chromatographic reactor. The mathematical model is formed by a system of nonlinear convection–diffusion reaction partial differential equations (PDEs) coupled with nonlinear algebraic equations for reactions and isotherms. The model equations are solved numerically by applying a semi-discrete high-resolution finite volume scheme (HR-FVS). Several numerical case studies are conducted for two different types of reactions to demonstrate the influence of heat transfer on the retention time, separation, and reaction. It was found that the enthalpies of adsorption and reaction significantly influence the reactor performance. The ratio of density time heat capacity of solid and liquid phases significantly influences the magnitude and velocity of concentration and thermal waves. The results obtained could be very helpful for further developments in non-isothermal reactive chromatography and provide a deeper insight into the sensitivity of chromatographic reactor operating under non-isothermal conditions.
Highlights
High-performance liquid chromatography is a selective separation technique which is based on differences in the distribution of chemical species between the phases of the separation column
Chromatographic reactor is a multi-functional unit in which chemical reaction and chromatographic separation lead to an integrated process that improves the conversion of reactants and purity of products
The reactive chromatography is available as an invaluable laboratory tool and as an industrial unit for multiple reasons.[1]
Summary
High-performance liquid chromatography is a selective separation technique which is based on differences in the distribution of chemical species between the phases of the separation column. We propose the following integral consistency tests for mass and energy balance equations to check the accuracy of the numerical scheme and the formulated model equations These tests are performed to analyze the conservation of mass and energy balances for three-component nonlinear reactive model considering the reaction of type, A ! 0.2 temperature through the individual enthalpies of adsorption, DHA, i: Figures 3 and 4 reveal completely different behavior of concentration and temperature profiles in comparison to those obtained in the previously considered cases It can be observed that more reactant is converted into product for the case
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