Global S&T Development Trend Analysis Platform of Resources and Environment
DOI | 10.1029/2019WR026373 |
Multicomponent Ionic Transport Modeling in Physically and Electrostatically Heterogeneous Porous Media With PhreeqcRM Coupling for Geochemical Reactions | |
Muniruzzaman, Muhammad1; Rolle, Massimo2 | |
2019-12-23 | |
发表期刊 | WATER RESOURCES RESEARCH |
ISSN | 0043-1397 |
EISSN | 1944-7973 |
出版年 | 2019 |
卷号 | 55期号:12页码:11121-11143 |
文章类型 | Article |
语种 | 英语 |
国家 | Finland; Denmark |
英文摘要 | Low-permeability aquitards, such as clay layers and inclusions, are of utmost importance for contaminant transport in groundwater systems. Although most dissolved species, contaminants, and clay surfaces are charged, the role of electrostatic interactions in subsurface flow-through systems has not been extensively investigated. This study presents a two-dimensional multicomponent reactive transport investigation of diffusive/dispersive and electrostatic processes in homogeneous and heterogeneous clay systems. The proposed approach is based on multiple continua and is capable to accurately describe charge interactions during ionic transport in the free water, diffuse layer, and interlayer water of charged porous media. The diffuse layer composition is simulated by considering a mean electrostatic potential following Donnan approach, whereas the interlayer composition is calculated by adopting the Gaines-Thomas convention. Diffusive/dispersive fluxes within each subcontinuum (free water, diffuse layer, and interlayer) are calculated solving the Nernst-Planck equation while maintaining a net zero-charge flux. Furthermore, the multidimensional flow and transport model is coupled with the geochemical code PHREEQC, by utilizing the PhreeqcRM module, thus enabling great flexibility to access all PHREEQC's reaction capabilities. The code is benchmarked in 1-D systems against other software and previously published experimental data. Successively, reactive transport simulations are performed in 2-D clayey-sandy flow-through domains with spatially variable physical and electrostatic properties at both laboratory and field scales. The results reveal that different properties of surface charge, diffuse layer, and Coulombic interactions impact the transport of charged species and lead to distinct spatial distribution of the ions in the different subcontinua and to significantly different breakthrough curves. |
英文关键词 | reactive transport modeling charge interactions clay systems heterogeneity Nernst-Planck equations PhreeqcRM |
领域 | 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000503926000001 |
WOS关键词 | ARSENIC MOBILIZATION ; EXTERNAL SOLUTION ; SOLUTE TRANSPORT ; INTERLAYER SPACE ; ANION-EXCLUSION ; BACK-DIFFUSION ; CLAY-MINERALS ; FLOW ; DISPERSION ; POREWATER |
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/223998 |
专题 | 资源环境科学 |
作者单位 | 1.Geol Survey Finland, Kuopio, Finland; 2.Tech Univ Denmark, Dept Environm Engn, Lyngby, Denmark |
推荐引用方式 GB/T 7714 | Muniruzzaman, Muhammad,Rolle, Massimo. Multicomponent Ionic Transport Modeling in Physically and Electrostatically Heterogeneous Porous Media With PhreeqcRM Coupling for Geochemical Reactions[J]. WATER RESOURCES RESEARCH,2019,55(12):11121-11143. |
APA | Muniruzzaman, Muhammad,&Rolle, Massimo.(2019).Multicomponent Ionic Transport Modeling in Physically and Electrostatically Heterogeneous Porous Media With PhreeqcRM Coupling for Geochemical Reactions.WATER RESOURCES RESEARCH,55(12),11121-11143. |
MLA | Muniruzzaman, Muhammad,et al."Multicomponent Ionic Transport Modeling in Physically and Electrostatically Heterogeneous Porous Media With PhreeqcRM Coupling for Geochemical Reactions".WATER RESOURCES RESEARCH 55.12(2019):11121-11143. |
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