Efficient and accurate numerical simulation of nonlinear chromatographic 
processes

Javeed, S.; Qamar, S.; Seidel-Morgenstern, A.; Warnecke, G.

doi:10.1016/j.compchemeng.2010.10.002

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Efficient and accurate numerical simulation of nonlinear chromatographic processes

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Javeed, S.
International Max Planck Research School (IMPRS), Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;
Physical and Chemical Foundations of Process Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;

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Qamar, S.
Physical and Chemical Foundations of Process Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;
COMSATS Institute of Information Technology, Dep. of Mathematics, Islamabad, Pakistan;

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Seidel-Morgenstern, A.
Physical and Chemical Foundations of Process Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;
Otto-von-Guericke-Universität Magdeburg, External Organizations;

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Citation

Javeed, S., Qamar, S., Seidel-Morgenstern, A., & Warnecke, G. (2011). Efficient and accurate numerical simulation of nonlinear chromatographic processes. Computers and Chemical Engineering, 35(11), 2294-2305. doi:10.1016/j.compchemeng.2010.10.002.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0013-8DC7-1

Abstract

Models for chromatographic processes consist of nonlinear convection-dominated partial differential equations (PDEs) coupled with some algebraic equations. A high resolution semi-discrete flux-limiting finite volume scheme is proposed for solving the nonlinear equilibrium dispersive model of chromatography. The suggested scheme is capable to suppress numerical oscillations and, hence, preserves the positivity of numerical solutions. Moreover, the scheme has capability to accurately capture sharp discontinuities of chromatographic fronts on coarse grids. The performance of the current scheme is validated against other flux-limiting schemes available in the literature. The case studies include single-component elution, two-component elution, and displacement chromatography on non-movable (fixed) and movable (counter-current) beds. © 2010 Elsevier Ltd. All rights reserved. [accessed October 5th 2011]