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Modelling of photocatalytic CO2 reduction into value-added products in a packed bed photoreactor using the ray tracing method
Carbon Capture Science & Technology, Volume: 8, Start page: 100118
Swansea University Author: Mary Larimi
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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...
Published in: | Carbon Capture Science & Technology |
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ISSN: | 2772-6568 |
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Elsevier BV
2023
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URI: | https://cronfa.swan.ac.uk/Record/cronfa67227 |
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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 & 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 & Technology |
container_volume |
8 |
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100118 |
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2023 |
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Swansea University |
issn |
2772-6568 |
doi_str_mv |
10.1016/j.ccst.2023.100118 |
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Elsevier BV |
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Faculty of Science and Engineering |
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Faculty of Science and Engineering |
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Faculty of Science and Engineering |
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School of Engineering and Applied Sciences - Chemical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemical Engineering |
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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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11.0299 |