Global S&T Development Trend Analysis Platform of Resources and Environment
DOI | 10.1002/2017WR020362 |
Lagrangian simulation of mixing and reactions in complex geochemical systems | |
Engdahl, Nicholas B.1; Benson, David A.2; Bolster, Diogo3 | |
2017-04-01 | |
发表期刊 | WATER RESOURCES RESEARCH |
ISSN | 0043-1397 |
EISSN | 1944-7973 |
出版年 | 2017 |
卷号 | 53期号:4 |
文章类型 | Article |
语种 | 英语 |
国家 | USA |
英文摘要 | Simulations of detailed geochemical systems have traditionally been restricted to Eulerian reactive transport algorithms. This note introduces a Lagrangian method for modeling multicomponent reaction systems. The approach uses standard random walk-based methods for the particle motion steps but allows the particles to interact with each other by exchanging mass of their various chemical species. The colocation density of each particle pair is used to calculate the mass transfer rate, which creates a local disequilibrium that is then relaxed back toward equilibrium using the reaction engine PhreeqcRM. The mass exchange is the only step where the particles interact and the remaining transport and reaction steps are entirely independent for each particle. Several validation examples are presented, which reproduce well-known analytical solutions. These are followed by two demonstration examples of a competitive decay chain and an acid-mine drainage system. The source code, entitled Complex Reaction on Particles (CRP), and files needed to run these examples are hosted openly on GitHub (https://github.com/nbengdahl/CRP), so as to enable interested readers to readily apply this approach with minimal modifications. |
领域 | 资源环境 |
收录类别 | SCI-E |
WOS记录号 | WOS:000403682600056 |
WOS关键词 | POROUS-MEDIA ; TRANSPORT ; MODEL ; BIODEGRADATION ; NUMBER ; FLOW |
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/21192 |
专题 | 资源环境科学 |
作者单位 | 1.Washington State Univ, Dept Civil & Environm Engn, Pullman, WA 99164 USA; 2.Colorado Sch Mines, Hydrol Sci & Engn, Golden, CO 80401 USA; 3.Univ Norte Dame, Dept Civil & Environm Engn & Earth Sci, Norte Dame, ID USA |
推荐引用方式 GB/T 7714 | Engdahl, Nicholas B.,Benson, David A.,Bolster, Diogo. Lagrangian simulation of mixing and reactions in complex geochemical systems[J]. WATER RESOURCES RESEARCH,2017,53(4). |
APA | Engdahl, Nicholas B.,Benson, David A.,&Bolster, Diogo.(2017).Lagrangian simulation of mixing and reactions in complex geochemical systems.WATER RESOURCES RESEARCH,53(4). |
MLA | Engdahl, Nicholas B.,et al."Lagrangian simulation of mixing and reactions in complex geochemical systems".WATER RESOURCES RESEARCH 53.4(2017). |
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