The comparison of discrete ordinate and Monte Carlo methods in solving of the radiation transfer equations in a heterogenous reactor

Asadollahfardi, Gholamreza; Noori, M.; Asadi, Mohsen; Taherioun, M.

doi:10.2166/aqua.2017.058

Cited by 6 publications

(4 citation statements)

References 32 publications

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“…Radiation distribution is a crucial parameter in the simulation of photochemical and photocatalytic systems [74][75][76]. The light intensity distribution inside the reactor is simulated by solving the RTE and it depends on parameters such as type and position of the lamp, reactor geometry, radiation wavelength, the optical properties of the medium, specifications of reactor walls, and operating conditions (inflow and outflow rate, catalyst type and concentrations) [77,78].…”

Section: Review Articlementioning

confidence: 99%

“…Li et al used the DOM to study the wall reflection on an annular single-lamp UV reactor, which directly affects the radiation distribution [95]. Asadollahfardi et al presented a comparison of the reliability of the DOM with MC predictions for solving RTE [76]. The DOM is widely applied to model steady-state radiative transfer in media [96].…”

Section: Discrete Ordinates (Do) Modelmentioning

confidence: 99%

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Radiation Models for Computational Fluid Dynamics Simulations of Photocatalytic Reactors

et al. 2023

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The literature on computational fluid dynamics (CFD) simulations applied to photocatalytic systems is reviewed. CFD simulations referring to three models, namely, P‐1, discrete ordinates (DO), and Monte Carlo (MC) models, for simulating radiation distribution in annular photoreactors are addressed and previous works using these models are reviewed. The cases are a three‐dimensional (3D) annular photoreactor and a two‐dimensional (2D) rectangular enclosure with black walls and the results are compared with the literature. The DO model was selected to solve the radiation transfer equation (RTE) as the most reliable model to fit the radiation distribution inside the reactor. The setting‐up of mesh, angular discretization, and boundary conditions for CFD simulation of photocatalytic reactors are addressed. When correctly set, the CFD models show an excellent agreement with the literature results.

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Section: Review Articlementioning

confidence: 99%

Section: Discrete Ordinates (Do) Modelmentioning

confidence: 99%

Radiation Models for Computational Fluid Dynamics Simulations of Photocatalytic Reactors

et al. 2023

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“…Another fact that requires further consideration is that photons are not entirely directed to the reaction medium after impinging the system, which directly contributes to the system′s irradiation efficiency. In this sense, Monte Carlo method can be used to solve the RTE solution, probabilistically simulating the possible trajectory of photons in a medium, including absorption, scattering and reflection (Boyjoo et al, 2013;Asadollahfardi et al, 2018;Ayoub, 2020;Akach et al, 2020). This method involves statistical sampling to model complex chemical and physical phenomena and has shown good results when applied to model the radiation field in photochemistry systems (Singh et al, 2007).…”

Section: Radiation Transport Modelingmentioning

confidence: 99%

Modeling and Simulation of Reaction Environment in Photoredox Catalysis: A Critical Review

et al. 2022

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From the pharmaceutical industry’s point of view, photoredox catalysis has emerged as a powerful tool in the field of the synthesis of added-value compounds. With this method, it is possible to excite the catalyst by the action of light, allowing electron transfer processes to occur and, consequently, oxidation and reduction reactions. Thus, in association with photoredox catalysis, microreactor technology and continuous flow chemistry also play an important role in the development of organic synthesis processes, as this technology offers high yields, high selectivity and reduced side reactions. However, there is a lack of a more detailed understanding of the photoredox catalysis process, and computational tools based on computational fluid dynamics (CFD) can be used to deal with this and boost to reach higher levels of accuracy to continue innovating in this area. In this review, a comprehensive overview of the fundamentals of photoredox catalysis is provided, including the application of this technology for the synthesis of added-value chemicals in microreactors. Moreover, the advantages of the continuous flow system in comparison with batch systems are pointed out. It was also demonstrated how modeling and simulation using computational fluid dynamics (CFD) can be critical for the design and optimization of microreactors applied to photoredox catalysis, so as to better understand the reagent interactions and the influence of light in the reaction medium. Finally, a discussion about the future prospects of photoredox reactions considering the complexity of the process is presented.

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“…68 On the other hand, Monte Carlo models work by tracking the probabilistic distribution of directions for photons, taking into account their place of emission and the possible interactions on their way to the reactor. 69,70 Akach et al 70 compared both methods to solve the RTE in a heterogeneous reactor. Experimental measurements indicated that the radiation pattern could be adequately modelled with both methods.…”

Section: Uv Led In Simulationmentioning

confidence: 99%

Chapter 4. Modelling Photochemical Processes for Water Disinfection

Casado¹,

García-Gil²,

Martín-Sómer³

et al. 2022

Chemistry in the Environment

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The comparison of discrete ordinate and Monte Carlo methods in solving of the radiation transfer equations in a heterogenous reactor

Cited by 6 publications

References 32 publications

Radiation Models for Computational Fluid Dynamics Simulations of Photocatalytic Reactors

Radiation Models for Computational Fluid Dynamics Simulations of Photocatalytic Reactors

Modeling and Simulation of Reaction Environment in Photoredox Catalysis: A Critical Review

Chapter 4. Modelling Photochemical Processes for Water Disinfection

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