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DOI10.1002/2017WR020362
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
ISSN0043-1397
EISSN1944-7973
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
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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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