Validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputs

Abstract Computational fluid dynamics (CFD) has recently become a pivotal tool in the design and scale-up of bioprocesses. While CFD has been extensively utilized for stirred tank reactors (STRs), there exists a relatively limited body of literature focusing on CFD applications for shake flasks, alm...

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Main Authors: Carl Dinter, Andreas Gumprecht, Matthias Alexander Menze, Amizon Azizan, Paul-Joachim Niehoff, Sven Hansen, Jochen Büchs
Format: Article
Language:English
Published: Nature Portfolio 2024-02-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-024-53980-7
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author Carl Dinter
Andreas Gumprecht
Matthias Alexander Menze
Amizon Azizan
Paul-Joachim Niehoff
Sven Hansen
Jochen Büchs
author_facet Carl Dinter
Andreas Gumprecht
Matthias Alexander Menze
Amizon Azizan
Paul-Joachim Niehoff
Sven Hansen
Jochen Büchs
author_sort Carl Dinter
collection DOAJ
description Abstract Computational fluid dynamics (CFD) has recently become a pivotal tool in the design and scale-up of bioprocesses. While CFD has been extensively utilized for stirred tank reactors (STRs), there exists a relatively limited body of literature focusing on CFD applications for shake flasks, almost exclusively concentrated on fluids at waterlike viscosity. The importance of CFD model validation cannot be overstated. While techniques to elucidate the internal flow field are necessary for model validation in STRs, the liquid distribution, caused by the orbital shaking motion of shake flasks, can be exploited for model validation. An OpenFOAM CFD model for shake flasks has been established. Calculated liquid distributions were compared to suitable, previously published experimental data. Across a broad range of shaking conditions, at waterlike and moderate viscosity (16.7 mPa∙s), the CFD model's liquid distributions align excellently with the experimental data, in terms of overall shape and position of the liquid relative to the direction of the centrifugal force. Additionally, the CFD model was used to calculate the volumetric power input, based on the energy dissipation. Depending on the shaking conditions, the computed volumetric power inputs range from 0.1 to 7 kW/m3 and differed on average by 0.01 kW/m3 from measured literature data.
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spelling doaj.art-c3725940f3a94fc2952a9f8d205dfd122024-03-05T18:57:35ZengNature PortfolioScientific Reports2045-23222024-02-0114111710.1038/s41598-024-53980-7Validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputsCarl Dinter0Andreas Gumprecht1Matthias Alexander Menze2Amizon Azizan3Paul-Joachim Niehoff4Sven Hansen5Jochen Büchs6RWTH Aachen UniversityEvonik Operations GmbHRWTH Aachen UniversitySchool of Chemical Engineering, College of Engineering, Universiti Teknologi MARARWTH Aachen UniversityEvonik Operations GmbHRWTH Aachen UniversityAbstract Computational fluid dynamics (CFD) has recently become a pivotal tool in the design and scale-up of bioprocesses. While CFD has been extensively utilized for stirred tank reactors (STRs), there exists a relatively limited body of literature focusing on CFD applications for shake flasks, almost exclusively concentrated on fluids at waterlike viscosity. The importance of CFD model validation cannot be overstated. While techniques to elucidate the internal flow field are necessary for model validation in STRs, the liquid distribution, caused by the orbital shaking motion of shake flasks, can be exploited for model validation. An OpenFOAM CFD model for shake flasks has been established. Calculated liquid distributions were compared to suitable, previously published experimental data. Across a broad range of shaking conditions, at waterlike and moderate viscosity (16.7 mPa∙s), the CFD model's liquid distributions align excellently with the experimental data, in terms of overall shape and position of the liquid relative to the direction of the centrifugal force. Additionally, the CFD model was used to calculate the volumetric power input, based on the energy dissipation. Depending on the shaking conditions, the computed volumetric power inputs range from 0.1 to 7 kW/m3 and differed on average by 0.01 kW/m3 from measured literature data.https://doi.org/10.1038/s41598-024-53980-7
spellingShingle Carl Dinter
Andreas Gumprecht
Matthias Alexander Menze
Amizon Azizan
Paul-Joachim Niehoff
Sven Hansen
Jochen Büchs
Validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputs
Scientific Reports
title Validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputs
title_full Validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputs
title_fullStr Validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputs
title_full_unstemmed Validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputs
title_short Validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputs
title_sort validation of computational fluid dynamics of shake flask experiments at moderate viscosity by liquid distributions and volumetric power inputs
url https://doi.org/10.1038/s41598-024-53980-7
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