Details
| Originalsprache | Englisch |
|---|---|
| Seiten (von - bis) | 2207-2223 |
| Seitenumfang | 17 |
| Fachzeitschrift | Archive of applied mechanics |
| Jahrgang | 92 |
| Ausgabenummer | 7 |
| Frühes Online-Datum | 21 Mai 2022 |
| Publikationsstatus | Veröffentlicht - Juli 2022 |
Abstract
In this paper, we propose a novel, semi-analytic approach for the two-scale, computational modeling of concentration transport in packed bed reactors. Within the reactor, catalytic pellets are stacked, which alter the concentration evolution. Firstly, the considered experimental setup is discussed and a naive one-scale approach is presented. This one-scale model motivates, due to unphysical fitted values, to enrich the computational procedure by another scale. The computations on the second scale, here referred to as microscale, are based on a proper investigation of the diffusion process in the catalytic pellets from which, after continuum-consistent considerations, a sink term for the macroscopic advection–diffusion–reaction process can be identified. For the special case of a spherical catalyst pellet, the parabolic partial differential equation at the microscale can be reduced to a single ordinary differential equation in time through a semi-analytic approach. After the presentation of our model, we show results for its calibration against the macroscopic response of a simple standard mass transport experiment. Based thereon, the effective diffusion parameters of the catalyst pellets can be identified.
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in: Archive of applied mechanics, Jahrgang 92, Nr. 7, 07.2022, S. 2207-2223.
Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review
}
TY - JOUR
T1 - Continuum multiscale modeling of absorption processes in micro- and nanocatalysts
AU - Köhler, Maximilian
AU - Junker, Philipp
AU - Balzani, Daniel
N1 - Funding Information: We thank Hrishikesh Joshi from Max Planck Institute for Coal Research, Mülheim a.d. Ruhr, Germany, for fruitful discussions and for providing the experimental data.
PY - 2022/7
Y1 - 2022/7
N2 - In this paper, we propose a novel, semi-analytic approach for the two-scale, computational modeling of concentration transport in packed bed reactors. Within the reactor, catalytic pellets are stacked, which alter the concentration evolution. Firstly, the considered experimental setup is discussed and a naive one-scale approach is presented. This one-scale model motivates, due to unphysical fitted values, to enrich the computational procedure by another scale. The computations on the second scale, here referred to as microscale, are based on a proper investigation of the diffusion process in the catalytic pellets from which, after continuum-consistent considerations, a sink term for the macroscopic advection–diffusion–reaction process can be identified. For the special case of a spherical catalyst pellet, the parabolic partial differential equation at the microscale can be reduced to a single ordinary differential equation in time through a semi-analytic approach. After the presentation of our model, we show results for its calibration against the macroscopic response of a simple standard mass transport experiment. Based thereon, the effective diffusion parameters of the catalyst pellets can be identified.
AB - In this paper, we propose a novel, semi-analytic approach for the two-scale, computational modeling of concentration transport in packed bed reactors. Within the reactor, catalytic pellets are stacked, which alter the concentration evolution. Firstly, the considered experimental setup is discussed and a naive one-scale approach is presented. This one-scale model motivates, due to unphysical fitted values, to enrich the computational procedure by another scale. The computations on the second scale, here referred to as microscale, are based on a proper investigation of the diffusion process in the catalytic pellets from which, after continuum-consistent considerations, a sink term for the macroscopic advection–diffusion–reaction process can be identified. For the special case of a spherical catalyst pellet, the parabolic partial differential equation at the microscale can be reduced to a single ordinary differential equation in time through a semi-analytic approach. After the presentation of our model, we show results for its calibration against the macroscopic response of a simple standard mass transport experiment. Based thereon, the effective diffusion parameters of the catalyst pellets can be identified.
KW - Calibration
KW - Catalysis
KW - Multiscale diffusion
UR - http://www.scopus.com/inward/record.url?scp=85130215712&partnerID=8YFLogxK
U2 - 10.1007/s00419-022-02172-8
DO - 10.1007/s00419-022-02172-8
M3 - Article
AN - SCOPUS:85130215712
VL - 92
SP - 2207
EP - 2223
JO - Archive of applied mechanics
JF - Archive of applied mechanics
SN - 0939-1533
IS - 7
ER -