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Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method

Amirmohammad Rastgaran, Hooman Fatoorehchi, Navid Khallaghi, Mary Larimi Orcid Logo, Tohid N. Borhani Orcid Logo

Carbon Capture Science & Technology, Volume: 8, Start page: 100118

Swansea University Author: Mary Larimi Orcid Logo

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DOI (Published version): 10.1016/j.ccst.2023.100118

Abstract

This research suggests a comprehensive 3D model for modelling photocatalytic conversion of CO2 to methane, hydrogen and carbon monoxide in a packed bed reactor. This research includes two parts: designing the reactor's geometry using a new method in "blender" and using the computation...

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Published in: Carbon Capture Science & Technology
ISSN: 2772-6568
Published: Elsevier BV 2023
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URI: https://cronfa.swan.ac.uk/Record/cronfa67227
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spelling v2 67227 2024-07-30 Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method db028d01b9d62d39518f147f6bb08fa5 0000-0001-5566-171X Mary Larimi Mary Larimi true false 2024-07-30 EAAS This research suggests a comprehensive 3D model for modelling photocatalytic conversion of CO2 to methane, hydrogen and carbon monoxide in a packed bed reactor. This research includes two parts: designing the reactor's geometry using a new method in "blender" and using the computational fluid dynamics (CFD) technique to study and analyse the reaction, transport of phenomenon and light intensity through the reactor. Laminar flow, chemical reaction, mass transfer and optics physics were considered together to solve the equations. The surface reaction in the reactor follows a modified version of the Langmuir-Hinshelwood equation that evaluates the light profile in the reactor and the blockage of the catalyst's surface over time. Thus, a new method for 3D modelling light profiles in the reactor is introduced. The rate of reaction continues to increase with the pressure, and after 1 atm, the rate becomes steady. In the first 17 h, the methane rate is the highest, and then the carbon monoxide rate overcomes the methane rate. The rate of hydrogen is considerably lower than the other products. Changing pellets from spheres to Raschig rings causes growth in the probability density function (PDF) at the first moments. In methane's PDF, the amount of Raschig and sphere are 0.25 and 0.18, respectively, at the start of the reaction. Thus, the Raschig ring operates more effectively at the beginning moments of the process but eventually is outweighed after an hour by spherical particles. In the end, the validation of modelling and results were investigated with the aid of experimental data. Journal Article Carbon Capture Science &amp; Technology 8 100118 Elsevier BV 2772-6568 CO2 photoreduction; Computational fluid dynamics; Mathematical modelling; Simulation; Optics; Packed bed reactor 1 9 2023 2023-09-01 10.1016/j.ccst.2023.100118 COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University No funding was available for this study. 2024-08-22T16:34:25.2868532 2024-07-30T11:33:44.4051682 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemical Engineering Amirmohammad Rastgaran 1 Hooman Fatoorehchi 2 Navid Khallaghi 3 Mary Larimi 0000-0001-5566-171X 4 Tohid N. Borhani 0000-0002-0906-6749 5 67227__31156__cfd17a27e27f4073a2ff33a3e50af716.pdf 67227.VoR.pdf 2024-08-22T16:33:15.1616474 Output 3609343 application/pdf Version of Record true © 2023 The Author(s). This is an open access article under the CC BY-NC-ND license. true eng http://creativecommons.org/licenses/by-nc-nd/4.0/
title Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method
spellingShingle Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method
Mary Larimi
title_short Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method
title_full Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method
title_fullStr Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method
title_full_unstemmed Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method
title_sort Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method
author_id_str_mv db028d01b9d62d39518f147f6bb08fa5
author_id_fullname_str_mv db028d01b9d62d39518f147f6bb08fa5_***_Mary Larimi
author Mary Larimi
author2 Amirmohammad Rastgaran
Hooman Fatoorehchi
Navid Khallaghi
Mary Larimi
Tohid N. Borhani
format Journal article
container_title Carbon Capture Science &amp; Technology
container_volume 8
container_start_page 100118
publishDate 2023
institution Swansea University
issn 2772-6568
doi_str_mv 10.1016/j.ccst.2023.100118
publisher Elsevier BV
college_str Faculty of Science and Engineering
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hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemical Engineering
document_store_str 1
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description This research suggests a comprehensive 3D model for modelling photocatalytic conversion of CO2 to methane, hydrogen and carbon monoxide in a packed bed reactor. This research includes two parts: designing the reactor's geometry using a new method in "blender" and using the computational fluid dynamics (CFD) technique to study and analyse the reaction, transport of phenomenon and light intensity through the reactor. Laminar flow, chemical reaction, mass transfer and optics physics were considered together to solve the equations. The surface reaction in the reactor follows a modified version of the Langmuir-Hinshelwood equation that evaluates the light profile in the reactor and the blockage of the catalyst's surface over time. Thus, a new method for 3D modelling light profiles in the reactor is introduced. The rate of reaction continues to increase with the pressure, and after 1 atm, the rate becomes steady. In the first 17 h, the methane rate is the highest, and then the carbon monoxide rate overcomes the methane rate. The rate of hydrogen is considerably lower than the other products. Changing pellets from spheres to Raschig rings causes growth in the probability density function (PDF) at the first moments. In methane's PDF, the amount of Raschig and sphere are 0.25 and 0.18, respectively, at the start of the reaction. Thus, the Raschig ring operates more effectively at the beginning moments of the process but eventually is outweighed after an hour by spherical particles. In the end, the validation of modelling and results were investigated with the aid of experimental data.
published_date 2023-09-01T16:34:23Z
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