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Mass transfer towards a reactive particle in a fluid flow: Numerical simulations and modeling

Sulaiman, Mostafa and Climent, Éric and Hammouti, Abdelkader and Wachs, Anthony Mass transfer towards a reactive particle in a fluid flow: Numerical simulations and modeling. (2019) Chemical Engineering Science, 199. 496-507. ISSN 0009-2509

(Document in English)

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Official URL: https://doi.org/10.1016/j.ces.2018.12.051


We study mass transfer towards a solid spherical catalyst particle experiencing a first order irreversible reaction coupled to an external laminar flow. Internal chemical reaction and convective-diffusive mass transfer in the surrounding fluid flow are coupled by concentration and flux boundary conditions at the particle surface. Through this coupling, the mean particle surface and volume concentrations are predicted and the internal/external Sherwood numbers are obtained. We investigate the interplay between convection, diffusion, and reaction by computational fluid dynamics and establish a model for the mass transfer coefficient accounting for diffusion and internal first-order chemical reaction. We obtain a prediction of the mass transfer coefficient through mass balance or using the classical additivity rule. The model is numerically validated by fully resolved numerical simulations over a wide range of Reynolds number, Schmidt number and Thiele modulus which shows that assuming decoupled treatment of external and internal mass transfer gives very accurate predictions. Finally, we test the unsteady response of the model. The model predicts the evolution of the mean volume concentration for a particle placed in a steady convective-diffusive stream. Predictions of the unsteady model are in very good agreement with computed results.

Item Type:Article
HAL Id:hal-02407705
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
French research institutions > IFP Energies Nouvelles - IFPEN (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Other partners > University of British Columbia (CANADA)
Laboratory name:
Deposited On:09 Mar 2020 10:13

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