Probability Langmuir-Hinshelwood based CO2 photoreduction kinetic models

Thompson, Warren A.; Fernández, Eva Sánchez; Maroto‐Valer, M. Mercedes

doi:10.1016/j.cej.2019.123356

Cited by 47 publications

(34 citation statements)

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“…In addition, modeling the deactivation is a separate issue as there are many unknown factors with respect to what the causes are such as catalyst deactivation and external conditions. For example, Thompson et al [11] introduced a probability function to approximate the loss of active sites or deactivation.…”

Section: Simulation Methodsmentioning

confidence: 99%

“…They showed that CO 2 photoreduction will be more efficient when the formation of CO is preferred if CO instead of formic acid (HCOOH) during the reduction process. Thompson et al's work [11] showed that CO is one of dominant intermediate products, and thus, in this work we chose and treated the potential CO pathway as the main reaction route for CO 2 photoreduction to CH 4 . To further simplify the reaction route, the intermediate products of HCHO and methanol (CH 3 OH) are not considered in our simulation and CO directly generates CH 4 .…”

Section: Co 2 Photoreduction Mechanismmentioning

confidence: 99%

“…The site density is 3.6 Â 10 -6 mol$m -2 or 2.31 sites$nm -2 [26]. The specific surface area of P25 TiO 2 is 53.31 m 2 $g -1 [11]. The diffusivity on the surface is 5 Â 10 -8 m 2 $s -1 [27].…”

Section: Simulation Conditionsmentioning

confidence: 99%

“…For instance, Tahir and Amin [10] constructed the reaction kinetics of CO 2 photoreduction in a microchannel monolith photoreactor using the Langmuir-Hinshelwood reaction kinetic model. To account for apparent photocatalyst deactivation under continuous flow, Thompson et al [11] introduced the Weibull possibility density function into the kinetic equation. Meanwhile, Marczewski [12] proposed a simple and easy integrated kinetic Langmuir model to analyze the comprehensive reaction process.…”

Section: Introductionmentioning

confidence: 99%

“…2 Simulation of CO 2 photoreduction 2.1 CO 2 photoreduction in a thin-film reactor In this work, the photoreactor dimensions and CO 2 photoreduction conditions for simulation originate from published work [11]. The schematic diagram of the photoreactor is shown in Fig.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational fluid dynamic and reaction kinetic modeling

Luo

Thompson

et al. 2021

Front. Chem. Sci. Eng.

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The production of solar fuels via the photoreduction of carbon dioxide to methane by titanium oxide is a promising process to control greenhouse gas emissions and provide alternative renewable fuels. Although several reaction mechanisms have been proposed, the detailed steps are still ambiguous, and the limiting factors are not well defined. To improve our understanding of the mechanisms of carbon dioxide photoreduction, a multi-physics model was developed using COMSOL. The novelty of this work is the computational fluid dynamic model combined with the novel carbon dioxide photoreduction intrinsic reaction kinetic model, which was built based on three-steps, namely gas adsorption, surface reactions and desorption, while the ultraviolet light intensity distribution was simulated by the Gaussian distribution model and Beer-Lambert model. The carbon dioxide photoreduction process conducted in a laboratory-scale reactor under different carbon dioxide and water moisture partial pressures was then modeled based on the intrinsic kinetic model. It was found that the simulation results for methane, carbon monoxide and hydrogen yield match the experiments in the concentration range of 10−4 mol·m−3 at the low carbon dioxide and water moisture partial pressure. Finally, the factors of adsorption site concentration, adsorption equilibrium constant, ultraviolet light intensity and temperature were evaluated.

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Section: Simulation Methodsmentioning

confidence: 99%

Section: Co 2 Photoreduction Mechanismmentioning

confidence: 99%