Experimental and Computational Analysis of NO<i><sub>x</sub></i> Photocatalytic Abatement Using Carbon-Modified TiO<sub>2</sub> Materials
In the present study, two photocatalytic graphene oxide (GO) and carbon nanotubes (CNT) modified TiO<sub>2</sub> materials thermally treated at 300 °C (T300_GO and T300_CNT, respectively) were tested and revealed their conversion efficiency of nitrogen oxides (NO<i><sub>x<...
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MDPI AG
2020-11-01
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| Series: | Catalysts |
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| Online Access: | https://www.mdpi.com/2073-4344/10/12/1366 |
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| author | Tatiana Zhiltsova. Nelson Martins Mariana R. F. Silva Carla F. Da Silva Mirtha A. O. Lourenço David M. Tobaldi Daniel Covita Maria Paula Seabra Paula Ferreira |
| author_facet | Tatiana Zhiltsova. Nelson Martins Mariana R. F. Silva Carla F. Da Silva Mirtha A. O. Lourenço David M. Tobaldi Daniel Covita Maria Paula Seabra Paula Ferreira |
| author_sort | Tatiana Zhiltsova. |
| collection | DOAJ |
| description | In the present study, two photocatalytic graphene oxide (GO) and carbon nanotubes (CNT) modified TiO<sub>2</sub> materials thermally treated at 300 °C (T300_GO and T300_CNT, respectively) were tested and revealed their conversion efficiency of nitrogen oxides (NO<i><sub>x</sub></i>) under simulated solar light, showing slightly better results when compared with the commercial Degussa P25 material at the initial concentration of NO<i><sub>x</sub></i> of 200 ppb. A chemical kinetic model based on the Langmuir–Hinshelwood (L-H) mechanism was employed to simulate micropollutant abatement. Modeling of the fluid dynamics and photocatalytic oxidation (PCO) kinetics was accomplished with computational fluid dynamics (CFD) approach for modeling single-phase liquid fluid flow (air/NO<i><sub>x</sub></i> mixture) with an isothermal heterogeneous surface reaction. A tuning methodology based on an extensive CFD simulation procedure was applied to adjust the kinetic model parameters toward a better correspondence between simulated and experimentally obtained data. The kinetic simulations of heterogeneous photo-oxidation of NO<i><sub>x</sub></i> carried out with the optimized parameters demonstrated a high degree of matching with the experimentally obtained NO<i><sub>x</sub></i> conversion. T300_CNT is the most active photolytic material with a degradation rate of 62.1%, followed by P25-61.4% and T300_GO-60.4%, when irradiated, for 30 min, with emission spectra similar to solar light. |
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| language | English |
| last_indexed | 2024-03-10T14:36:34Z |
| publishDate | 2020-11-01 |
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| series | Catalysts |
| spelling | doaj.art-0e2c62fb9ee2450eb4f34717fc19fee72023-11-20T22:04:53ZengMDPI AGCatalysts2073-43442020-11-011012136610.3390/catal10121366Experimental and Computational Analysis of NO<i><sub>x</sub></i> Photocatalytic Abatement Using Carbon-Modified TiO<sub>2</sub> MaterialsTatiana Zhiltsova.0Nelson Martins1Mariana R. F. Silva2Carla F. Da Silva3Mirtha A. O. Lourenço4David M. Tobaldi5Daniel Covita6Maria Paula Seabra7Paula Ferreira8TEMA—Centre for Mechanical Engineering and Automation, Mechanical Engineering Department, University of Aveiro, 3810-193 Aveiro, PortugalTEMA—Centre for Mechanical Engineering and Automation, Mechanical Engineering Department, University of Aveiro, 3810-193 Aveiro, PortugalCICECO—Aveiro Institute of Material, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, PortugalCICECO—Aveiro Institute of Material, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, PortugalCICECO—Aveiro Institute of Material, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, PortugalCICECO—Aveiro Institute of Material, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, PortugalBosch Termotecnologia, S.A., Estrada Nacional 16, 3800-533 Cacia, PortugalCICECO—Aveiro Institute of Material, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, PortugalCICECO—Aveiro Institute of Material, Department of Materials and Ceramic Engineering, University of Aveiro, 3810-193 Aveiro, PortugalIn the present study, two photocatalytic graphene oxide (GO) and carbon nanotubes (CNT) modified TiO<sub>2</sub> materials thermally treated at 300 °C (T300_GO and T300_CNT, respectively) were tested and revealed their conversion efficiency of nitrogen oxides (NO<i><sub>x</sub></i>) under simulated solar light, showing slightly better results when compared with the commercial Degussa P25 material at the initial concentration of NO<i><sub>x</sub></i> of 200 ppb. A chemical kinetic model based on the Langmuir–Hinshelwood (L-H) mechanism was employed to simulate micropollutant abatement. Modeling of the fluid dynamics and photocatalytic oxidation (PCO) kinetics was accomplished with computational fluid dynamics (CFD) approach for modeling single-phase liquid fluid flow (air/NO<i><sub>x</sub></i> mixture) with an isothermal heterogeneous surface reaction. A tuning methodology based on an extensive CFD simulation procedure was applied to adjust the kinetic model parameters toward a better correspondence between simulated and experimentally obtained data. The kinetic simulations of heterogeneous photo-oxidation of NO<i><sub>x</sub></i> carried out with the optimized parameters demonstrated a high degree of matching with the experimentally obtained NO<i><sub>x</sub></i> conversion. T300_CNT is the most active photolytic material with a degradation rate of 62.1%, followed by P25-61.4% and T300_GO-60.4%, when irradiated, for 30 min, with emission spectra similar to solar light.https://www.mdpi.com/2073-4344/10/12/1366CFD modelingphotocatalytic oxidationair qualityNO<i><sub>x</sub></i>heterogeneous surface reaction |
| spellingShingle | Tatiana Zhiltsova. Nelson Martins Mariana R. F. Silva Carla F. Da Silva Mirtha A. O. Lourenço David M. Tobaldi Daniel Covita Maria Paula Seabra Paula Ferreira Experimental and Computational Analysis of NO<i><sub>x</sub></i> Photocatalytic Abatement Using Carbon-Modified TiO<sub>2</sub> Materials Catalysts CFD modeling photocatalytic oxidation air quality NO<i><sub>x</sub></i> heterogeneous surface reaction |
| title | Experimental and Computational Analysis of NO<i><sub>x</sub></i> Photocatalytic Abatement Using Carbon-Modified TiO<sub>2</sub> Materials |
| title_full | Experimental and Computational Analysis of NO<i><sub>x</sub></i> Photocatalytic Abatement Using Carbon-Modified TiO<sub>2</sub> Materials |
| title_fullStr | Experimental and Computational Analysis of NO<i><sub>x</sub></i> Photocatalytic Abatement Using Carbon-Modified TiO<sub>2</sub> Materials |
| title_full_unstemmed | Experimental and Computational Analysis of NO<i><sub>x</sub></i> Photocatalytic Abatement Using Carbon-Modified TiO<sub>2</sub> Materials |
| title_short | Experimental and Computational Analysis of NO<i><sub>x</sub></i> Photocatalytic Abatement Using Carbon-Modified TiO<sub>2</sub> Materials |
| title_sort | experimental and computational analysis of no i sub x sub i photocatalytic abatement using carbon modified tio sub 2 sub materials |
| topic | CFD modeling photocatalytic oxidation air quality NO<i><sub>x</sub></i> heterogeneous surface reaction |
| url | https://www.mdpi.com/2073-4344/10/12/1366 |
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