Mechanical Solute Dispersion in slender packed bed reactors: Comparing Pore Network Modeling and Particle-Resolved CFD

C.M.Y. Claassen; A. Fathiganjehlou; E.A.J.F. Peters; K.A. Buist; M.W. Baltussen; J.A.M. Kuipers

doi:10.1016/j.ijheatmasstransfer.2024.126630

Mechanical Solute Dispersion in slender packed bed reactors: Comparing Pore Network Modeling and Particle-Resolved CFD

C.M.Y. Claassen
, A. Fathiganjehlou
, E.A.J.F. Peters (Corresponding author)
, K.A. Buist
, M.W. Baltussen
, J.A.M. Kuipers

EIRES Research

Research output: Contribution to journal › Article › Academic › peer-review

5 Citations (Scopus)

73 Downloads (Pure)

Abstract

Packed beds are a versatile workhorse in chemical industry. In this study, Pore Network Model (PNM) and Particle-Resolved Computational Fluid Dynamics (PR-CFD) are employed to simulate purely mechanical solute dispersion, i.e. excluding diffusion, in such packed bed reactors. Our study assesses the changes in flow patterns and mixing effects for these two methods, by examining various geometric configurations (the ratio of the column diameter to particle diameter is 4.2, 5.25, and 7). The PNM shows to match best with the PR-CFD results for the most homogeneous packing, i.e. the largest column-to-particle diameter ratio. While the PNM on pore-level produces good results, it cannot capture all local phenomena, such as Taylor or boundary-layer dispersion, resulting in an underprediction of the dispersion.

Original language	English
Article number	126630
Number of pages	16
Journal	International Journal of Heat and Mass Transfer
Volume	240
Early online date	4 Jan 2025
DOIs	https://doi.org/10.1016/j.ijheatmasstransfer.2024.126630
Publication status	Published - 1 May 2025

Bibliographical note

Publisher Copyright:
© 2024 The Authors

Funding

This work is a part of the research program TOP Grants Chemical Sciences with project number 716.018.001 , which is financed by the Dutch Research Council (NWO) . This work was sponsored by NWO-Domain Science for the use of supercomputer facilities . We thank SURF ( www.surf.nl ) for the support in using the National Supercomputer Snellius. This work is a part of the research program TOP Grants Chemical Sciences with project number 716.018.001, which is financed by the Dutch Research Council (NWO), Netherlands. This work was sponsored by NWO-Domain Science for the use of supercomputer facilities. We thank SURF (www.surf.nl) for the support in using the National Supercomputer Snellius.

Keywords

Column-to-particle diameter ratio
Dispersion
Packed bed reactors
Particle-resolved computational fluid dynamics
Pore network modeling

Access to Document

10.1016/j.ijheatmasstransfer.2024.126630

pdfFinal published version, 5.42 MBLicence: CC BY

Cite this

@article{a41ac83a723140bb8b68fbbcadcf6cf9,

title = "Mechanical Solute Dispersion in slender packed bed reactors: Comparing Pore Network Modeling and Particle-Resolved CFD",

abstract = "Packed beds are a versatile workhorse in chemical industry. In this study, Pore Network Model (PNM) and Particle-Resolved Computational Fluid Dynamics (PR-CFD) are employed to simulate purely mechanical solute dispersion, i.e. excluding diffusion, in such packed bed reactors. Our study assesses the changes in flow patterns and mixing effects for these two methods, by examining various geometric configurations (the ratio of the column diameter to particle diameter is 4.2, 5.25, and 7). The PNM shows to match best with the PR-CFD results for the most homogeneous packing, i.e. the largest column-to-particle diameter ratio. While the PNM on pore-level produces good results, it cannot capture all local phenomena, such as Taylor or boundary-layer dispersion, resulting in an underprediction of the dispersion.",

keywords = "Column-to-particle diameter ratio, Dispersion, Packed bed reactors, Particle-resolved computational fluid dynamics, Pore network modeling",

author = "C.M.Y. Claassen and A. Fathiganjehlou and E.A.J.F. Peters and K.A. Buist and M.W. Baltussen and J.A.M. Kuipers",

note = "Publisher Copyright: {\textcopyright} 2024 The Authors",

year = "2025",

month = may,

day = "1",

doi = "10.1016/j.ijheatmasstransfer.2024.126630",

language = "English",

volume = "240",

journal = "International Journal of Heat and Mass Transfer",

issn = "0017-9310",

publisher = "Elsevier",

}

Mechanical Solute Dispersion in slender packed bed reactors: Comparing Pore Network Modeling and Particle-Resolved CFD. / Claassen, C.M.Y.; Fathiganjehlou, A.; Peters, E.A.J.F. (Corresponding author) et al.
In: International Journal of Heat and Mass Transfer, Vol. 240, 126630, 01.05.2025.

Research output: Contribution to journal › Article › Academic › peer-review

TY - JOUR

T1 - Mechanical Solute Dispersion in slender packed bed reactors

T2 - Comparing Pore Network Modeling and Particle-Resolved CFD

AU - Claassen, C.M.Y.

AU - Fathiganjehlou, A.

AU - Peters, E.A.J.F.

AU - Buist, K.A.

AU - Baltussen, M.W.

AU - Kuipers, J.A.M.

PY - 2025/5/1

Y1 - 2025/5/1

N2 - Packed beds are a versatile workhorse in chemical industry. In this study, Pore Network Model (PNM) and Particle-Resolved Computational Fluid Dynamics (PR-CFD) are employed to simulate purely mechanical solute dispersion, i.e. excluding diffusion, in such packed bed reactors. Our study assesses the changes in flow patterns and mixing effects for these two methods, by examining various geometric configurations (the ratio of the column diameter to particle diameter is 4.2, 5.25, and 7). The PNM shows to match best with the PR-CFD results for the most homogeneous packing, i.e. the largest column-to-particle diameter ratio. While the PNM on pore-level produces good results, it cannot capture all local phenomena, such as Taylor or boundary-layer dispersion, resulting in an underprediction of the dispersion.

AB - Packed beds are a versatile workhorse in chemical industry. In this study, Pore Network Model (PNM) and Particle-Resolved Computational Fluid Dynamics (PR-CFD) are employed to simulate purely mechanical solute dispersion, i.e. excluding diffusion, in such packed bed reactors. Our study assesses the changes in flow patterns and mixing effects for these two methods, by examining various geometric configurations (the ratio of the column diameter to particle diameter is 4.2, 5.25, and 7). The PNM shows to match best with the PR-CFD results for the most homogeneous packing, i.e. the largest column-to-particle diameter ratio. While the PNM on pore-level produces good results, it cannot capture all local phenomena, such as Taylor or boundary-layer dispersion, resulting in an underprediction of the dispersion.

KW - Column-to-particle diameter ratio

KW - Dispersion

KW - Packed bed reactors

KW - Particle-resolved computational fluid dynamics

KW - Pore network modeling

UR - https://www.scopus.com/pages/publications/85214107401

U2 - 10.1016/j.ijheatmasstransfer.2024.126630

DO - 10.1016/j.ijheatmasstransfer.2024.126630

M3 - Article

AN - SCOPUS:85214107401

SN - 0017-9310

VL - 240

JO - International Journal of Heat and Mass Transfer

JF - International Journal of Heat and Mass Transfer

M1 - 126630

ER -

Mechanical Solute Dispersion in slender packed bed reactors: Comparing Pore Network Modeling and Particle-Resolved CFD

Abstract

Bibliographical note

Funding

Keywords

Access to Document

Other files and links

Fingerprint

Cite this