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Efficient simulation of chromatographic separation processes

Brown, SF; Ogden, MD; Fraga, ES; (2018) Efficient simulation of chromatographic separation processes. Computers & Chemical Engineering , 110 pp. 69-77. 10.1016/j.compchemeng.2017.12.006. Green open access

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Abstract

This work presents the development and testing of an efficient, high resolution algorithm developed for the solution of equilibrium and non-equilibrium chromatographic problems as a means of simultaneously producing high fidelity predictions with a minimal increase in computational cost. The method involves the coupling of a high-order WENO scheme, adapted for use on non-uniform grids, with a piecewise adaptive grid (PAG) method to reduce runtime while accurately resolving the sharp gradients observed in the processes under investigation. Application of the method to a series of benchmark chromatographic test cases, within which an increasing number of components are included over short and long spatial domains and containing shocks, shows that the method is able to accurately resolve the discontinuities and that the use of the PAG method results in a reduction in the CPU runtime of up to 90%, without degradation of the solution, relative to an equivalent uniform grid.

Type: Article
Title: Efficient simulation of chromatographic separation processes
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.compchemeng.2017.12.006
Publisher version: https://doi.org/10.1016/j.compchemeng.2017.12.006
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Science & Technology, Technology, Computer Science, Interdisciplinary Applications, Engineering, Chemical, Computer Science, Engineering, Column chromatography, WENO scheme, Adaptive mesh refinement, Adaptive Mesh Refinement, Partial-Differential-Equations, Finite-Element-Method, Conservation-Laws, Grid Method, Strategies, Models, Flows
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
URI: https://discovery.ucl.ac.uk/id/eprint/10044518
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