Academic Journal
Efficient Computer Simulation of Simulated Moving Bed Chromatographic Processes with Negligible Axial Dispersion, Linear and Nonlinear Noncompetitive Adsorption Isotherms.
| Title: | Efficient Computer Simulation of Simulated Moving Bed Chromatographic Processes with Negligible Axial Dispersion, Linear and Nonlinear Noncompetitive Adsorption Isotherms. |
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| Authors: | Pishkari, Rojiar, Kienle, Achim |
| Source: | Processes; Jun2026, Vol. 14 Issue 11, p1788, 13p |
| Subject Terms: | Adsorption isotherms, Computer simulation, Mathematical optimization, Partial differential equations, Chromatographic analysis, High performance liquid chromatography, Adsorption (Chemistry) |
| Abstract: | Efficient and accurate simulation methods are essential for analyzing and optimizing chromatographic processes, which are governed by partial differential equations (PDEs) and characterized by the propagation of steep concentration fronts. These fronts often cause numerical dispersion and high computational costs in conventional finite-volume or finite-difference schemes. In this paper, a fast and accurate simulation method for highly efficient chromatographic columns with negligible axial dispersion, linear and nonlinear non-competitive adsorption isotherms is proposed. The simulation approach is based on the propagation of discrete concentration values using characteristic velocities. In the linear case, the method is exact, and only the graphical representation of the solution depends on the discretization of the concentration coordinate. In the nonlinear case, an approximation is proposed to capture the possible formation of discontinuities efficiently. Nevertheless, it is shown that good agreement with reference solutions is achieved even for a relatively low number of discrete concentration values. Applications of the proposed methods are demonstrated for different multi-column simulated moving bed processes. The results show that the computational effort can be significantly reduced compared to the popular cell model, which represents a first-order finite-volume approximation of the underlying PDEs. The proposed approach thus enables rapid process design and parameter exploration for both linear and nonlinear non competitive adsorption isotherms for SMB chromatography separations with highly efficient columns. [ABSTRACT FROM AUTHOR] |
| Copyright of Processes is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Complementary Index |
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| Items | – Name: Title Label: Title Group: Ti Data: Efficient Computer Simulation of Simulated Moving Bed Chromatographic Processes with Negligible Axial Dispersion, Linear and Nonlinear Noncompetitive Adsorption Isotherms. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Pishkari%2C+Rojiar%22">Pishkari, Rojiar</searchLink><br /><searchLink fieldCode="AR" term="%22Kienle%2C+Achim%22">Kienle, Achim</searchLink> – Name: TitleSource Label: Source Group: Src Data: Processes; Jun2026, Vol. 14 Issue 11, p1788, 13p – Name: Subject Label: Subject Terms Group: Su Data: <searchLink fieldCode="DE" term="%22Adsorption+isotherms%22">Adsorption isotherms</searchLink><br /><searchLink fieldCode="DE" term="%22Computer+simulation%22">Computer simulation</searchLink><br /><searchLink fieldCode="DE" term="%22Mathematical+optimization%22">Mathematical optimization</searchLink><br /><searchLink fieldCode="DE" term="%22Partial+differential+equations%22">Partial differential equations</searchLink><br /><searchLink fieldCode="DE" term="%22Chromatographic+analysis%22">Chromatographic analysis</searchLink><br /><searchLink fieldCode="DE" term="%22High+performance+liquid+chromatography%22">High performance liquid chromatography</searchLink><br /><searchLink fieldCode="DE" term="%22Adsorption+%28Chemistry%29%22">Adsorption (Chemistry)</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Efficient and accurate simulation methods are essential for analyzing and optimizing chromatographic processes, which are governed by partial differential equations (PDEs) and characterized by the propagation of steep concentration fronts. These fronts often cause numerical dispersion and high computational costs in conventional finite-volume or finite-difference schemes. In this paper, a fast and accurate simulation method for highly efficient chromatographic columns with negligible axial dispersion, linear and nonlinear non-competitive adsorption isotherms is proposed. The simulation approach is based on the propagation of discrete concentration values using characteristic velocities. In the linear case, the method is exact, and only the graphical representation of the solution depends on the discretization of the concentration coordinate. In the nonlinear case, an approximation is proposed to capture the possible formation of discontinuities efficiently. Nevertheless, it is shown that good agreement with reference solutions is achieved even for a relatively low number of discrete concentration values. Applications of the proposed methods are demonstrated for different multi-column simulated moving bed processes. The results show that the computational effort can be significantly reduced compared to the popular cell model, which represents a first-order finite-volume approximation of the underlying PDEs. The proposed approach thus enables rapid process design and parameter exploration for both linear and nonlinear non competitive adsorption isotherms for SMB chromatography separations with highly efficient columns. [ABSTRACT FROM AUTHOR] – Name: Abstract Label: Group: Ab Data: <i>Copyright of Processes is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3390/pr14111788 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 13 StartPage: 1788 Subjects: – SubjectFull: Adsorption isotherms Type: general – SubjectFull: Computer simulation Type: general – SubjectFull: Mathematical optimization Type: general – SubjectFull: Partial differential equations Type: general – SubjectFull: Chromatographic analysis Type: general – SubjectFull: High performance liquid chromatography Type: general – SubjectFull: Adsorption (Chemistry) Type: general Titles: – TitleFull: Efficient Computer Simulation of Simulated Moving Bed Chromatographic Processes with Negligible Axial Dispersion, Linear and Nonlinear Noncompetitive Adsorption Isotherms. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Pishkari, Rojiar – PersonEntity: Name: NameFull: Kienle, Achim IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 06 Text: Jun2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 22279717 Numbering: – Type: volume Value: 14 – Type: issue Value: 11 Titles: – TitleFull: Processes Type: main |
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