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Multiphysics computational fluid-dynamics (CFD) modeling of annular photocatalytic reactors by the discrete ordinates method (DOM) and the six-flux model (SFM) and evaluation of the contaminant intrinsic kinetics constants

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journal contribution
posted on 04.02.2020, 09:14 by Rodrigo Peralta-Muniz-Moreira, Gianluca Li-PumaGianluca Li-Puma
Computational Fluid Dynamics (CFD) was used to model an annular photocatalytic reactor by solving the Radiative Transfer Equation (RTE) using the Discrete Ordinates Model (DOM) and the Six-Flux model (SFM) with isotropic scattering. The RTE boundary condition (BC) at the light entrance wall with the SFM was either the irradiance or the fluence rate, calculated using the LSSE, LSDE or ESDE light emission models. The Total Rate of Photon Absorption (TRPA) calculated with the SFM and fluence rate BC was overestimated by 29 - 21 % in comparison to the DOM, when the optical thickness varied between 1.8 and 3.2 %, and was underestimated by 3.1–8.8 % when irradiance was the BC. The intrinsic reaction kinetics constants of 2-hydroxybenzoic acid (2-HBA) determined using the SFM in experimental reactors operated at very high optical thicknesses were 1 % higher and 18 % lower, than the constants determined with DOM, when irradiance or fluence rate, respectively, was used as BC. Overall, the SFM combined with the irradiance BC provides a more accurate evaluation of the LVRPA and intrinsic reaction kinetics constants, with instantaneous solutions, while the DOM computational time > 20  min. This aspect is highly important in solar photocatalytic reactors with fluctuating irradiance.

Funding

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), Brazil (Finance Code 001)

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Chemical Engineering

Published in

Catalysis Today

Volume

361

Pages

77 - 84

Publisher

Elsevier BV

Version

AM (Accepted Manuscript)

Rights holder

© Elsevier B.V.

Publisher statement

This paper was accepted for publication in the journal Catalysis Today and the definitive published version is available at https://doi.org/10.1016/j.cattod.2020.01.012.

Acceptance date

05/01/2020

Publication date

2020-01-22

Copyright date

2020

ISSN

0920-5861

Language

en

Depositor

Prof Gianluca Li Puma. Deposit date: 3 February 2020