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Article

Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method

1
Institut für Automatisierungstechnik, Otto von Guericke University, Universitätsplatz 2, 39106 Magdeburg, Germany
2
Systems, Estimation, Control and Optimization (SECO), University of Mons, 31 Boulevard Dolez, 7000 Mons, Belgium
3
Max Planck Institute for Dynamics of Complex Technical Systems, Sandtorstraße 1, 39106 Magdeburg, Germany
*
Author to whom correspondence should be addressed.
Processes 2020, 8(10), 1316; https://doi.org/10.3390/pr8101316
Received: 14 September 2020 / Revised: 12 October 2020 / Accepted: 15 October 2020 / Published: 20 October 2020
(This article belongs to the Special Issue Advanced Methods in Process and Systems Engineering)
Chromatographic separation processes need efficient simulation methods, especially for nonlinear adsorption isotherms such as the Langmuir isotherms which imply the formation of concentration shocks. The focus of this paper is on the space–time conservation element/solution element (CE/SE) method. This is an explicit method for the solution of systems of partial differential equations. Numerical stability of this method is guaranteed when the Courant–Friedrichs–Lewy condition is satisfied. To investigate the accuracy and efficiency of this method, it is compared with the classical cell model, which corresponds to a first-order finite volume discretization using a method of lines approach (MOL). The evaluation is done for different models, including the ideal equilibrium model and a mass transfer model for different adsorption isotherms—including linear and nonlinear Langmuir isotherms—and for different chromatographic processes from single-column operation to more sophisticated simulated moving bed (SMB) processes for the separation of binary and ternary mixtures. The results clearly show that CE/SE outperforms MOL in terms of computational times for all considered cases, ranging from 11-fold for the case with linear isotherm to 350-fold for the most complicated case with ternary center-cut eight-zone SMB with Langmuir isotherms, and it could be successfully applied for the optimization and control studies of such processes. View Full-Text
Keywords: conservation element/solution element (CE/SE) method; method of lines (MOL); single-column chromatography; simulated moving bed (SMB) chromatography; simulation conservation element/solution element (CE/SE) method; method of lines (MOL); single-column chromatography; simulated moving bed (SMB) chromatography; simulation
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MDPI and ACS Style

Chernev, V.P.; Vande Wouwer, A.; Kienle, A. Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method. Processes 2020, 8, 1316. https://doi.org/10.3390/pr8101316

AMA Style

Chernev VP, Vande Wouwer A, Kienle A. Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method. Processes. 2020; 8(10):1316. https://doi.org/10.3390/pr8101316

Chicago/Turabian Style

Chernev, Valentin Plamenov, Alain Vande Wouwer, and Achim Kienle. 2020. "Efficient Simulation of Chromatographic Processes Using the Conservation Element/Solution Element Method" Processes 8, no. 10: 1316. https://doi.org/10.3390/pr8101316

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