Global S&T Development Trend Analysis Platform of Resources and Environment
DOI | 10.1029/2019WR026832 |
Solving the Nernst-Planck Equation in Heterogeneous Porous Media With Finite Volume Methods: Averaging Approaches at Interfaces | |
Tournassat, Christophe1,2,3; Steefel, Carl, I1; Gimmi, Thomas4,5 | |
2020-03-01 | |
发表期刊 | WATER RESOURCES RESEARCH |
ISSN | 0043-1397 |
EISSN | 1944-7973 |
出版年 | 2020 |
卷号 | 56期号:3 |
文章类型 | Article |
语种 | 英语 |
国家 | USA; France; Switzerland |
英文摘要 | Molecular diffusion of dissolved species is a fundamental mass transport process affecting many environmental and technical processes. Whereas diffusive transport of single tracers can be described by Fick's law, a multicomponent approach based on the Nernst-Planck equation is required for charge-coupled transport of ions. The numerical solution of the Nernst-Planck equation requires special attention with regard to properties that are required at interfaces of numerical cells when using a finite difference or finite volume method. Weighted arithmetic and harmonic averages are used in most codes that can solve the Nernst-Planck equation. This way of averaging is correct for diffusion coefficients but inappropriate for solute concentrations at interfaces. This averaging approach leads to charge balance problems and thus to numerical instabilities near interfaces separating grid volumes with contrasting properties. We argue that a logarithmic-differential average should be used. Here this result is generalized, and it is demonstrated that it generally leads to improved numerical stability and accuracy of concentrations computed near material interfaces. It is particularly relevant when modeling semipermeable clay membranes or membranes used in water treatment processes. |
领域 | 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000538000800037 |
WOS关键词 | MULTICOMPONENT IONIC-DIFFUSION ; CATION DIFFUSION ; TRANSPORT ; DISPERSION ; WATER ; FRACTIONATION ; IMPACT ; CLAY ; ZERO ; ROCK |
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/280574 |
专题 | 资源环境科学 |
作者单位 | 1.Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA; 2.Bur Rech Geol & Minieres, Orleans, France; 3.Univ Orleans, Inst Sci Terre Orleans, CNRS, INSU BRGM, Orleans, France; 4.Univ Bern, Inst Geol Sci, Rock Water Interact, Bern, Switzerland; 5.Paul Scherrer Inst, Lab Waste Management Nucl Energy & Safety, Villigen, Switzerland |
推荐引用方式 GB/T 7714 | Tournassat, Christophe,Steefel, Carl, I,Gimmi, Thomas. Solving the Nernst-Planck Equation in Heterogeneous Porous Media With Finite Volume Methods: Averaging Approaches at Interfaces[J]. WATER RESOURCES RESEARCH,2020,56(3). |
APA | Tournassat, Christophe,Steefel, Carl, I,&Gimmi, Thomas.(2020).Solving the Nernst-Planck Equation in Heterogeneous Porous Media With Finite Volume Methods: Averaging Approaches at Interfaces.WATER RESOURCES RESEARCH,56(3). |
MLA | Tournassat, Christophe,et al."Solving the Nernst-Planck Equation in Heterogeneous Porous Media With Finite Volume Methods: Averaging Approaches at Interfaces".WATER RESOURCES RESEARCH 56.3(2020). |
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