Bimolecular Reactive Transport Experiments and Simulations in Porous Media
For reactive transport process in porous media, limited mixing and non-Fickian behavior are difficult to understand and predict. To explore the effects of anomalous diffusion and limited mixing, the column-based experiments of bimolecular reactive migration were performed and simulated by the CTRW-F...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-07-01
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| Series: | Water |
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| Online Access: | https://www.mdpi.com/2073-4441/12/7/1931 |
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| author | Qian Wang Jianmin Bian Yihan Li Chunpeng Zhang Fei Ding |
| author_facet | Qian Wang Jianmin Bian Yihan Li Chunpeng Zhang Fei Ding |
| author_sort | Qian Wang |
| collection | DOAJ |
| description | For reactive transport process in porous media, limited mixing and non-Fickian behavior are difficult to understand and predict. To explore the effects of anomalous diffusion and limited mixing, the column-based experiments of bimolecular reactive migration were performed and simulated by the CTRW-FEM model (continuous time random walk-finite element method). Simulated parameters were calibrated and the correlation coefficients between modeled and observed BTCs (breakthrough curves) were greater than 0.9, indicating that CTRW-FEM can solve over-prediction and tailing problems effectively. Porous media with coarser particle size show enhanced mixing and the non-Fickian behavior is not affected by particle size. <i>β</i> (a parameter of CTRW-FEM) and <i>Da</i> (Damköhler number) of CTRW-FEM under different <i>Pe</i> (Péclet number) values showed logarithmic linear relationship. Model sensitivity analysis of the CTRW-FEM model show that the peak concentration is most sensitive to the average pore velocity and the arriving peak time of peak concentration is most sensitive to <i>β</i>. These findings provide a theoretical basis for handling mixing and non-Fickian behavior patterns under actual environmental conditions. |
| first_indexed | 2024-03-10T18:38:20Z |
| format | Article |
| id | doaj.art-386765dd43e644ca8c56e100d582e462 |
| institution | Directory Open Access Journal |
| issn | 2073-4441 |
| language | English |
| last_indexed | 2024-03-10T18:38:20Z |
| publishDate | 2020-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Water |
| spelling | doaj.art-386765dd43e644ca8c56e100d582e4622023-11-20T06:03:51ZengMDPI AGWater2073-44412020-07-01127193110.3390/w12071931Bimolecular Reactive Transport Experiments and Simulations in Porous MediaQian Wang0Jianmin Bian1Yihan Li2Chunpeng Zhang3Fei Ding4College of New Energy and Environment, Jilin University, Changchun 130021, ChinaCollege of New Energy and Environment, Jilin University, Changchun 130021, ChinaCollege of New Energy and Environment, Jilin University, Changchun 130021, ChinaCollege of New Energy and Environment, Jilin University, Changchun 130021, ChinaKey Laboratory of Beijing for Water Quality Science and Water Environment Recovery Engineering, College of Architecture and Civil Engineering, Beijing University of Technology, Beijing 100124, ChinaFor reactive transport process in porous media, limited mixing and non-Fickian behavior are difficult to understand and predict. To explore the effects of anomalous diffusion and limited mixing, the column-based experiments of bimolecular reactive migration were performed and simulated by the CTRW-FEM model (continuous time random walk-finite element method). Simulated parameters were calibrated and the correlation coefficients between modeled and observed BTCs (breakthrough curves) were greater than 0.9, indicating that CTRW-FEM can solve over-prediction and tailing problems effectively. Porous media with coarser particle size show enhanced mixing and the non-Fickian behavior is not affected by particle size. <i>β</i> (a parameter of CTRW-FEM) and <i>Da</i> (Damköhler number) of CTRW-FEM under different <i>Pe</i> (Péclet number) values showed logarithmic linear relationship. Model sensitivity analysis of the CTRW-FEM model show that the peak concentration is most sensitive to the average pore velocity and the arriving peak time of peak concentration is most sensitive to <i>β</i>. These findings provide a theoretical basis for handling mixing and non-Fickian behavior patterns under actual environmental conditions.https://www.mdpi.com/2073-4441/12/7/1931bimolecularanomalous diffusionlimited mixingCTRW-FEM |
| spellingShingle | Qian Wang Jianmin Bian Yihan Li Chunpeng Zhang Fei Ding Bimolecular Reactive Transport Experiments and Simulations in Porous Media Water bimolecular anomalous diffusion limited mixing CTRW-FEM |
| title | Bimolecular Reactive Transport Experiments and Simulations in Porous Media |
| title_full | Bimolecular Reactive Transport Experiments and Simulations in Porous Media |
| title_fullStr | Bimolecular Reactive Transport Experiments and Simulations in Porous Media |
| title_full_unstemmed | Bimolecular Reactive Transport Experiments and Simulations in Porous Media |
| title_short | Bimolecular Reactive Transport Experiments and Simulations in Porous Media |
| title_sort | bimolecular reactive transport experiments and simulations in porous media |
| topic | bimolecular anomalous diffusion limited mixing CTRW-FEM |
| url | https://www.mdpi.com/2073-4441/12/7/1931 |
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