Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores

Jesper Frandsen; Jan Michael  Breuer; Eric von Lieres; Johannes Schmölder; Jakob K. Huusom; Krist V. Gernaey; Jens Abildskov

doi:10.1016/B978-0-443-28824-1.50555-X

Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores

Jesper Frandsen^*
, Jan Michael Breuer
, Eric von Lieres
, Johannes Schmölder
, Jakob K. Huusom
, Krist V. Gernaey
, Jens Abildskov

^*Corresponding author for this work

Forschungszentrum Jülich GmbH

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

Abstract

This study presents CADET-Julia, an implementation of the Discontinuous Galerkin spectral element method (DGSEM) in Julia, applied to the Lumped Rate Model (LRM) and multi-component Langmuir isotherm for binary separation in both batch and simulated moving bed (SMB) operation. A comparative analysis was made of CADET-FV and CADET-DG, C++ implementations of finite volume and DGSEM found in CADET, respectively. For stiff systems operated in batch mode, CADET-FV, CADET-Julia and CADET-DG showed similar performance, however, for less stiff systems, CADET-Julia and CADET-DG were superior. For stiff systems in SMB operation, CADET-Julia was significantly faster than CADET-FV. CADET-DG could not be benchmarked at the current time.

Original language	English
Title of host publication	Proceedings of the 34th European Symposium on Computer Aided Process Engineering
Editors	Flavio Manenti, Gintaras V. Reklaitis
Volume	53
Publisher	Elsevier
Publication date	2024
Pages	3325-3330
DOIs	https://doi.org/10.1016/B978-0-443-28824-1.50555-X
Publication status	Published - 2024
Event	34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering - Florence, Italy Duration: 2 Jun 2024 → 6 Jun 2024

Conference

Conference	34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering
Country/Territory	Italy
City	Florence
Period	02/06/2024 → 06/06/2024

Keywords

Chromatography
Continuous chromatography
SMB
Numerical solver

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10.1016/B978-0-443-28824-1.50555-X

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Frandsen, J., Breuer , J. M., von Lieres, E., Schmölder, J., Huusom, J. K., Gernaey, K. V., & Abildskov, J. (2024). Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores. In F. Manenti, & G. V. Reklaitis (Eds.), Proceedings of the 34th European Symposium on Computer Aided Process Engineering (Vol. 53, pp. 3325-3330 ). Elsevier. https://doi.org/10.1016/B978-0-443-28824-1.50555-X

@inproceedings{ba31796551f5435a9b16a7f3e389e75c,

title = "Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores",

abstract = "This study presents CADET-Julia, an implementation of the Discontinuous Galerkin spectral element method (DGSEM) in Julia, applied to the Lumped Rate Model (LRM) and multi-component Langmuir isotherm for binary separation in both batch and simulated moving bed (SMB) operation. A comparative analysis was made of CADET-FV and CADET-DG, C++ implementations of finite volume and DGSEM found in CADET, respectively. For stiff systems operated in batch mode, CADET-FV, CADET-Julia and CADET-DG showed similar performance, however, for less stiff systems, CADET-Julia and CADET-DG were superior. For stiff systems in SMB operation, CADET-Julia was significantly faster than CADET-FV. CADET-DG could not be benchmarked at the current time.",

keywords = "Chromatography, Continuous chromatography, SMB, Numerical solver",

author = "Jesper Frandsen and Breuer, \{Jan Michael\} and \{von Lieres\}, Eric and Johannes Schm{\"o}lder and Huusom, \{Jakob K.\} and Gernaey, \{Krist V.\} and Jens Abildskov",

year = "2024",

doi = "10.1016/B978-0-443-28824-1.50555-X",

language = "English",

volume = "53",

pages = "3325--3330 ",

editor = "Manenti, \{Flavio \} and \{V. Reklaitis\}, \{Gintaras \}",

booktitle = "Proceedings of the 34th European Symposium on Computer Aided Process Engineering",

publisher = "Elsevier",

address = "United Kingdom",

note = "34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, ESCAPE34 - PSE24 ; Conference date: 02-06-2024 Through 06-06-2024",

}

Frandsen, J, Breuer , JM, von Lieres, E, Schmölder, J, Huusom, JK , Gernaey, KV & Abildskov, J 2024, Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores. in F Manenti & G V. Reklaitis (eds), Proceedings of the 34th European Symposium on Computer Aided Process Engineering. vol. 53, Elsevier, pp. 3325-3330 , 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering, Florence, Italy, 02/06/2024. https://doi.org/10.1016/B978-0-443-28824-1.50555-X

Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores. / Frandsen, Jesper; Breuer , Jan Michael ; von Lieres, Eric et al.
Proceedings of the 34th European Symposium on Computer Aided Process Engineering. ed. / Flavio Manenti; Gintaras V. Reklaitis. Vol. 53 Elsevier, 2024. p. 3325-3330 .

Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

TY - GEN

T1 - Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores

AU - Frandsen, Jesper

AU - Breuer , Jan Michael

AU - von Lieres, Eric

AU - Schmölder, Johannes

AU - Huusom, Jakob K.

AU - Gernaey, Krist V.

AU - Abildskov, Jens

PY - 2024

Y1 - 2024

N2 - This study presents CADET-Julia, an implementation of the Discontinuous Galerkin spectral element method (DGSEM) in Julia, applied to the Lumped Rate Model (LRM) and multi-component Langmuir isotherm for binary separation in both batch and simulated moving bed (SMB) operation. A comparative analysis was made of CADET-FV and CADET-DG, C++ implementations of finite volume and DGSEM found in CADET, respectively. For stiff systems operated in batch mode, CADET-FV, CADET-Julia and CADET-DG showed similar performance, however, for less stiff systems, CADET-Julia and CADET-DG were superior. For stiff systems in SMB operation, CADET-Julia was significantly faster than CADET-FV. CADET-DG could not be benchmarked at the current time.

AB - This study presents CADET-Julia, an implementation of the Discontinuous Galerkin spectral element method (DGSEM) in Julia, applied to the Lumped Rate Model (LRM) and multi-component Langmuir isotherm for binary separation in both batch and simulated moving bed (SMB) operation. A comparative analysis was made of CADET-FV and CADET-DG, C++ implementations of finite volume and DGSEM found in CADET, respectively. For stiff systems operated in batch mode, CADET-FV, CADET-Julia and CADET-DG showed similar performance, however, for less stiff systems, CADET-Julia and CADET-DG were superior. For stiff systems in SMB operation, CADET-Julia was significantly faster than CADET-FV. CADET-DG could not be benchmarked at the current time.

KW - Chromatography

KW - Continuous chromatography

KW - SMB

KW - Numerical solver

U2 - 10.1016/B978-0-443-28824-1.50555-X

DO - 10.1016/B978-0-443-28824-1.50555-X

M3 - Article in proceedings

VL - 53

SP - 3325

EP - 3330

BT - Proceedings of the 34th European Symposium on Computer Aided Process Engineering

A2 - Manenti, Flavio

A2 - V. Reklaitis, Gintaras

PB - Elsevier

T2 - 34th European Symposium on Computer Aided Process Engineering / 15th International Symposium on Process Systems Engineering

Y2 - 2 June 2024 through 6 June 2024

ER -

Frandsen J, Breuer JM, von Lieres E, Schmölder J, Huusom JK , Gernaey KV et al. Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores. In Manenti F, V. Reklaitis G, editors, Proceedings of the 34th European Symposium on Computer Aided Process Engineering. Vol. 53. Elsevier. 2024. p. 3325-3330 doi: 10.1016/B978-0-443-28824-1.50555-X

Discontinuous Galerkin spectral element method for continuous chromatography: Application to the Lumped Rate Model without pores

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