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DOI10.1029/2019WR026373
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
ISSN0043-1397
EISSN1944-7973
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
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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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