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DOI | 10.1002/2017WR022344 |
Nernst-Planck-based Description of Transport, Coulombic Interactions, and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments | |
Rolle, Massimo1; Sprocati, Riccardo1; Masi, Matteo2; Jin, Biao3; Muniruzzaman, Muhammad4 | |
2018-04-01 | |
发表期刊 | WATER RESOURCES RESEARCH
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ISSN | 0043-1397 |
EISSN | 1944-7973 |
出版年 | 2018 |
卷号 | 54期号:4页码:3176-3195 |
文章类型 | Article |
语种 | 英语 |
国家 | Denmark; Italy; Peoples R China; Finland |
英文摘要 | Transport of multicomponent electrolyte solutions in saturated porous media is affected by the electrostatic interactions between charged species. Such Coulombic interactions couple the displacement of the different ions in the pore water and remarkably impact mass transfer not only under diffusion, but also under advection-dominated flow regimes. To accurately describe charge effects in flow-through systems, we propose a multidimensional modeling approach based on the Nernst-Planck formulation of diffusive/dispersive fluxes. The approach is implemented with a COMSOL-PhreeqcRM coupling allowing us to solve multicomponent ionic conservative and reactive transport problems, in domains with different dimensionality (1-D, 2-D, and 3-D), and in homogeneous and heterogeneous media. The Nernst-Planck-based coupling has been benchmarked with analytical solutions, numerical simulations with another code, and high-resolution experimental data sets. The latter include flow-through experiments that have been carried out in this study to explore the effects of electrostatic interactions in fully three-dimensional setups. The results of the simulations show excellent agreement for all the benchmarks problems, which were selected to illustrate the capabilities and the distinct features of the Nernst-Planck-based reactive transport code. The outcomes of this study illustrate the importance of Coulombic interactions during conservative and reactive transport of charged species in porous media and allow the quantification and visualization of the specific contributions to the diffusive/dispersive Nernst-Planck fluxes, including the Fickian component, the term arising from the activity coefficient gradients, and the contribution due to electromigration. |
英文关键词 | reactive transport modeling multicomponent diffusion Nernst-Planck equations COMSOL-PHREEQC coupling electrostatic interactions flow-through experiments |
领域 | 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000434186400037 |
WOS关键词 | COMPOUND-SPECIFIC DILUTION ; PORE-SCALE ; MULTICOMPONENT DIFFUSION ; TRANSVERSE DISPERSION ; TRANSIENT TRANSPORT ; SOLUTE TRANSPORT ; IONIC TRANSPORT ; FLOW ; IMPACT ; CLAY |
WOS类目 | Environmental Sciences ; Limnology ; Water Resources |
WOS研究方向 | Environmental Sciences & Ecology ; Marine & Freshwater Biology ; Water Resources |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/21940 |
专题 | 资源环境科学 |
作者单位 | 1.Tech Univ Denmark, Dept Environm Engn, Copenhagen, Denmark; 2.Univ Pisa, Dept Energy Syst Terr & Construct Engn, Pisa, Italy; 3.Chinese Acad Sci, Guangzhou Inst Geochem, State Key Lab Organ Geochem, Guangzhou, Guangdong, Peoples R China; 4.Geol Survey Finland, Kuopio, Finland |
推荐引用方式 GB/T 7714 | Rolle, Massimo,Sprocati, Riccardo,Masi, Matteo,et al. Nernst-Planck-based Description of Transport, Coulombic Interactions, and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments[J]. WATER RESOURCES RESEARCH,2018,54(4):3176-3195. |
APA | Rolle, Massimo,Sprocati, Riccardo,Masi, Matteo,Jin, Biao,&Muniruzzaman, Muhammad.(2018).Nernst-Planck-based Description of Transport, Coulombic Interactions, and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments.WATER RESOURCES RESEARCH,54(4),3176-3195. |
MLA | Rolle, Massimo,et al."Nernst-Planck-based Description of Transport, Coulombic Interactions, and Geochemical Reactions in Porous Media: Modeling Approach and Benchmark Experiments".WATER RESOURCES RESEARCH 54.4(2018):3176-3195. |
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