Numerical approximation of nonlinear and non-equilibrium two-dimensional model of chromatography. (2nd November 2016)

• Record Type: Journal Article
• Authors: Qamar, Shamsul; Perveen, Sadia; Seidel-Morgenstern, Andreas
• Is Part Of: Computers & chemical engineering. Volume 94(2016)
• Page Start: 411
• Page End: 427
• Publication Date: 2016-11-02
• Subjects: Two-dimensional model of chromatography -- Non-equilibrium transport -- Nonlinear adsorption isotherm -- Mass transfer -- Finite volume scheme; Chemical engineering -- Data processing -- Periodicals; 660.0285
• DOI: 10.1016/j.compchemeng.2016.08.008
• Languages: English
• ISSNs: 0098-1354

Abstract

Abstract : Highlights: Numerical solutions of a 2D non-equilibrium model of chromatography are presented. A high resolution finite volume scheme is extended to solve the model equations. Concentration profiles over nonlinear chromatographic conditions are investigated. The solutions quantify the influence of solute transport in radial direction. The 2D-model and numerical scheme are useful in the case of non-perfect injections. Abstract: This article is concerned with the numerical approximation of a nonlinear model describing the two-dimensional non-equilibrium transport of multi-component mixtures in a chromatographic column of cylindrical geometry. In contrast to previous studies, the work includes joint analysis of deviations from equilibrium and the possibility that radial concentration profiles can develop. The considered radial gradients are typically ignored, which can be problematic in the case of non perfect injections. The model consists of nonlinear convection-diffusion partial differential equations coupled with some differential and algebraic equations. A high resolution finite volume scheme is applied to solve the model equations numerically. The considered case studies include single-component, two-component and three-component elution on fixed (non-movable) beds of liquid chromatography. The developed numerical algorithm is an efficient tool to study the effects of mass transfer kinetics on the elution profiles.