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Cited by 568Groundwater flow and contamination studiesGroundwater and Isotope GeochemistrySoil and Unsaturated Flow

Multicomponent reactive transport modeling in variably saturated porous media using a generalized formulation for kinetically controlled reactions

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Mayer, K. Ulrich, Frind, Emil O., Blowes, David W.·2002·Water Resources Research
DOI 10.1029/2001wr000862
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Abstract

A generalized formulation for kinetically controlled reactions has been developed and incorporated into a multicomponent reactive transport model to facilitate the investigation of a large variety of problems involving inorganic and organic chemicals in variably saturated media. The general kinetic formulation includes intra‐aqueous and dissolution‐precipitation reactions in addition to geochemical equilibrium expressions for hydrolysis, aqueous complexation, oxidation‐reduction, ion exchange, surface complexation, and gas dissolution‐exsolution reactions. The generalized approach allows consideration of fractional order terms with respect to any dissolved species in terms of species activities or in terms of total concentrations, which facilitates the incorporation of a variety of experimentally derived rate expressions. Monod and inhibition terms can be used to describe microbially mediated reactions or to limit the reaction progress of inorganic reactions. Dissolution‐precipitation reactions can be described as surface‐controlled or transport‐controlled reactions. The formulation also facilitates the consideration of any number of parallel reaction pathways, and reactions can be treated as irreversible or reversible processes. Two groundwater contamination scenarios, both set in variably saturated media but with significantly different geochemical reaction networks, are investigated and demonstrate the advantage of the generalized approach. The first problem focuses on a hypothetical case study of the natural attenuation of organic contaminants undergoing dissolution, volatilization, and biodegradation in an unconfined aquifer overlaid by unsaturated sediments. The second problem addresses the generation of acid mine drainage in the unsaturated zone of a tailings impoundment at the Nickel Rim Mine Site near Sudbury, Ontario, and subsequent reactive transport in the saturated portion of the tailings.

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Research works printed but not linked: 5

  1. [7]7. Bain, J. G., Hydrogeochemical investigation and reactive transport model- ling of an aquifer affected by mine drainage, M.S. thesis, Univ. of Water- loo, Waterloo, Ontario, Canada, 1996.
  2. [35]35. Johnson, R. H., The physical and chemical hydrogeology of the Nickel Rim Mine Tailings, Sudbury, Ontario, M.S. thesis, Univ. of Waterloo, Water- loo, Ontario, Canada, 1993.
  3. [67]67. Schwarzenbach, R. P., P. M. Gschwend, and D. M. Imboden, Environmen- tal Organic Chemistry, John Wiley, New York, 1993.
  4. [74]74. Stone, A. T., and J. J. Morgan, Kinetics of chemical transformations in the environment, in Aquatic Chemical Kinetics, Reaction Rates of Processes in Natural Waters, edited by W. Stumm, John Wiley, New York, 1990.
  5. [75]75. Stumm, W., and J. J. Morgan, Aquatic Chemistry, John Wiley, New York, 1996.

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Authors
Mayer, K. U., Frind, E. O., & Blowes, D. W.
Affiliations
  • University of British Columbia (CA)
  • University of Waterloo (CA)
ORCID
Venue
Water Resources Research
Publisher
American Geophysical Union (AGU)
Published
2002-09
Volume
38
Issue
9
ISSN
  • 0043-1397 (ISSN-L)
  • 1944-7973
DOI
10.1029/2001wr000862
OpenAlex
W1619164700
Cited by
568
References
89
Citations by year
2026: 19 · 2025: 18 · 2024: 19 · 2023: 24 · 2022: 30 · 2021: 35 · 2020: 31 · 2019: 33 · 2018: 33 · 2017: 17 · 2016: 30 · 2015: 32 · 2014: 35 · 2013: 26 · 2012: 27
FWCI
17.73
Type
journal article
Language
en
Open access
Licence
onlinelibrary.wiley.com/termsAndConditions#vor (vor, 23 d)
Locations
Water Resources Research (publishedVersion)
Funders
  • Government of Canada
  • Natural Sciences and Engineering Research Council of Canada
Topics
  • Physical Sciences › Environmental Science › Environmental Engineering › Groundwater flow and contamination studies
  • Physical Sciences › Earth and Planetary Sciences › Geochemistry and Petrology › Groundwater and Isotope Geochemistry
  • Physical Sciences › Engineering › Civil and Structural Engineering › Soil and Unsaturated Flow
Keywords
multicomponent reactive transport, variably saturated porous media, dissolution-precipitation, Monod kinetics, inhibition kinetics, microbial reactions, surface complexation, ion exchange, aqueous complexation, parallel reaction pathways, groundwater contamination, acid mine drainage, tailings ponds, unconfined aquifer, vadose zone

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