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New approach for the dimensionless analysis of a unidirectional flow solar reactor based on Damköhler's number profiles

A methodology for the analysis of the behavior of complex reactors based on the construction of profiles of a dimensionless number (Damköhler) for each main chemical species ([Formula: see text]) was proposed. A 4-chlorophenol mineralization reaction in a heterogeneous solar reactor with suspended T...

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Autores principales: Otálvaro-Marín, Héctor L., Machuca-Martínez, Fiderman
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8121664/
https://www.ncbi.nlm.nih.gov/pubmed/34027174
http://dx.doi.org/10.1016/j.heliyon.2021.e06969
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author Otálvaro-Marín, Héctor L.
Machuca-Martínez, Fiderman
author_facet Otálvaro-Marín, Héctor L.
Machuca-Martínez, Fiderman
author_sort Otálvaro-Marín, Héctor L.
collection PubMed
description A methodology for the analysis of the behavior of complex reactors based on the construction of profiles of a dimensionless number (Damköhler) for each main chemical species ([Formula: see text]) was proposed. A 4-chlorophenol mineralization reaction in a heterogeneous solar reactor with suspended TiO(2) and addition of H(2)O(2) with tubular geometry and radiation collectors, fluid flow and a recirculation system was selected as a complex model system in order to validate the approach. The dynamic behavior of the reactor in dimensionless variables was modeled as a function of [Formula: see text]. Where [Formula: see text] is a local property and grouped the optical and surface's properties of the catalyst, catalyst load, radiation intensity, the photon absorption rate, rate of non-photochemical reactions, the H(2)O(2) effect, the reaction rate of different stages like adsorption, attack of radicals, surface reactions, plus design and operation variables like reactor volume and volumetric flow. A coupling of orthogonal collocation and Runge-Kutta methods were used to solve the PDEs and carry out the simulations to the different experimental conditions, resulting in profiles of [Formula: see text] , [Formula: see text] , and conversion in function of time and space. The [Formula: see text] profiles proposed in the new methodology are capable of describing the disturbances in solar reactors, to indicate consumption and generation rates, instantaneous changes of reaction rate, to describe competitive reactions and quenching effects and to determine equilibrium concentrations, all of the above at each time and space. Therefore, this approach is a analysis tool of reactors which complements the concentration profile. This methodology can be extended to other reactive systems, adapting the intrinsic reaction rates.
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spelling pubmed-81216642021-05-20 New approach for the dimensionless analysis of a unidirectional flow solar reactor based on Damköhler's number profiles Otálvaro-Marín, Héctor L. Machuca-Martínez, Fiderman Heliyon Research Article A methodology for the analysis of the behavior of complex reactors based on the construction of profiles of a dimensionless number (Damköhler) for each main chemical species ([Formula: see text]) was proposed. A 4-chlorophenol mineralization reaction in a heterogeneous solar reactor with suspended TiO(2) and addition of H(2)O(2) with tubular geometry and radiation collectors, fluid flow and a recirculation system was selected as a complex model system in order to validate the approach. The dynamic behavior of the reactor in dimensionless variables was modeled as a function of [Formula: see text]. Where [Formula: see text] is a local property and grouped the optical and surface's properties of the catalyst, catalyst load, radiation intensity, the photon absorption rate, rate of non-photochemical reactions, the H(2)O(2) effect, the reaction rate of different stages like adsorption, attack of radicals, surface reactions, plus design and operation variables like reactor volume and volumetric flow. A coupling of orthogonal collocation and Runge-Kutta methods were used to solve the PDEs and carry out the simulations to the different experimental conditions, resulting in profiles of [Formula: see text] , [Formula: see text] , and conversion in function of time and space. The [Formula: see text] profiles proposed in the new methodology are capable of describing the disturbances in solar reactors, to indicate consumption and generation rates, instantaneous changes of reaction rate, to describe competitive reactions and quenching effects and to determine equilibrium concentrations, all of the above at each time and space. Therefore, this approach is a analysis tool of reactors which complements the concentration profile. This methodology can be extended to other reactive systems, adapting the intrinsic reaction rates. Elsevier 2021-05-05 /pmc/articles/PMC8121664/ /pubmed/34027174 http://dx.doi.org/10.1016/j.heliyon.2021.e06969 Text en © 2021 The Author(s) https://creativecommons.org/licenses/by-nc-nd/4.0/This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Research Article
Otálvaro-Marín, Héctor L.
Machuca-Martínez, Fiderman
New approach for the dimensionless analysis of a unidirectional flow solar reactor based on Damköhler's number profiles
title New approach for the dimensionless analysis of a unidirectional flow solar reactor based on Damköhler's number profiles
title_full New approach for the dimensionless analysis of a unidirectional flow solar reactor based on Damköhler's number profiles
title_fullStr New approach for the dimensionless analysis of a unidirectional flow solar reactor based on Damköhler's number profiles
title_full_unstemmed New approach for the dimensionless analysis of a unidirectional flow solar reactor based on Damköhler's number profiles
title_short New approach for the dimensionless analysis of a unidirectional flow solar reactor based on Damköhler's number profiles
title_sort new approach for the dimensionless analysis of a unidirectional flow solar reactor based on damköhler's number profiles
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8121664/
https://www.ncbi.nlm.nih.gov/pubmed/34027174
http://dx.doi.org/10.1016/j.heliyon.2021.e06969
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