PNG 550
Reactive Transport in the Subsurface

References

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Apps, J. A., L. Zheng, Y. Zhang, T. Xu and J. T. Birkholzer (2010). "Evaluation of Potential Changes in Groundwater Quality in Response to CO2 Leakage from Deep Geologic Storage." Transport in Porous Media 82(1): 215-246.

Atchley, A. L., A. K. Navarre-Sitchler and R. M. Maxwell (2014). "The effects of physical and geochemical heterogeneities on hydro-geochemical transport and effective reaction rates." Journal of Contaminant Hydrology 165(0): 53-64.

Bao, C., H. Wu, L. Li, D. Newcomer, P. E. Long and K. H. Williams (2014). "Uranium Bioreduction Rates across Scales: Biogeochemical Hot Moments and Hot Spots during a Biostimulation Experiment at Rifle, Colorado." Environmental Science & Technology 48(17): 10116-10127.

Bao, C., Li, L., Shi, Y. and Duffy, C. (2017) Understanding watershed hydrogeochemistry: 1. Development of RT-Flux-PIHM. Water Resources Research 53, 2328-2345.

Beaulieu, E., Y. Goddéris, D. Labat, C. Roelandt, D. Calmels and J. Gaillardet (2011). "Modeling of water-rock interaction in the Mackenzie basin: Competition between sulfuric and carbonic acids." Chemical Geology 289(1–2): 114-123.

Bethke, C. (1996). Geochemical reaction modeling : concepts and applications. New York, Oxford University Press.

Bolton, E. W., A. C. Lasaga and D. M. Rye (1996). "A model for the kinetic control of quartz dissolution and precipitation in porous media flow with spatially variable permeability: Formulation and examples of thermal convection." Journal of Geophysical Research: Solid Earth 101(B10): 22157-22187.

Boudreau, B. P. (1996). "A method-of-lines code for carbon and nutrient diagenesis in aquatic sediments." Computers & Geosciences 22(5): 479-496.

Brown, B. and D. Rolston (1980). "Transport and transformation of methyl bromide in soils." Soil science 130(2): 68-75.

Brunet, J. L., L. Li, Z. T. Karpyn, B. Kutchko, B. Strazisar and G. Bromhal (2013). "Dynamic evolution of compositional and transport properties under conditions relevant to geological carbon sequestration." Energy & Fuels.

Chapman, B. M. (1982). "Numerical simulation of the transport and speciation of nonconservative chemical reactants in rivers." Water Resources Research 18(1): 155-167.

Chapman, B. M., R. O. James, R. F. Jung and H. G. Washington (1982). "Modelling the transport of reacting chemical contaminants in natural streams." Marine and Freshwater Research 33(4): 617-628.

Druhan, J. L., C. I. Steefel, M. E. Conrad and D. J. DePaolo (2014). "A large column analog experiment of stable isotope variations during reactive transport: I. A comprehensive model of sulfur cycling and delta S-34 fractionation." Geochimica Et Cosmochimica Acta 124: 366-393.

Fang, Y., T. D. Scheibe, R. Mahadevan, S. Garg, P. E. Long and D. R. Lovley (2011). "Direct coupling of a genome-scale microbial in silico model and a groundwater reactive transport model." Journal of Contaminant Hydrology 122(1-4): 96-103.

Godderis, Y., L. M. Francois, A. Probst, J. Schott, D. Moncoulon, D. Labat and D. Viville (2006). "Modelling weathering processes at the catchment scale: The WITCH numerical model." Geochimica et Cosmochimica Acta 70: 1128-1147.

Helgeson, R. C. (1968). "Evaluation of irreversible reactions in geochemical processes involving minerals and aqueous solutions: I. Thermodynamic relations." Geochim. Cosmochim. Acta 32: 853–877.

Helgeson, R. C., R.M. Garrels and F. T. MacKenzie (1969). "Evaluation of irreversible reactions in geochemical processes involving minerals and aqueous solutions: II. Applications,." Geochim. Cosmochim. Acta 33: 455– 482.

Kang, Q. J., P. C. Lichtner and D. X. Zhang (2006). "Lattice Boltzmann pore-scale model for multicomponent reactive transport in porous media." Journal of Geophysical Research-Solid Earth 111.

Knutson, C. E., C. J. Werth and A. J. Valocchi (2005). "Pore-scale simulation of biomass growth along the transverse mixing zone of a model two-dimensional porous medium." Water Resources Research 41(7).

Li, L., N. Gawande, M. B. Kowalsky, C. I. Steefel and S. S. Hubbard (2011). "Physicochemical heterogeneity controls on uranium bioreduction rates at the field scale." Environmental Science and Technology 45(23): 9959-9966.

Li, L., C. A. Peters and M. A. Celia (2006). "Upscaling geochemical reaction rates using pore-scale network modeling." Advances in Water Resources 29(9): 1351-1370.

Li, L., C. I. Steefel and L. Yang (2008). "Scale dependence of mineral dissolution rates within single pores and fractures." Geochimica Et Cosmochimica Acta 72(2): 360-377.

Li, L., Bao, C., Sullivan, P.L., Brantley, S., Shi, Y. and Duffy, C. (2017a) Understanding watershed hydrogeochemistry: 2. Synchronized hydrological and geochemical processes drive stream chemostatic behavior. Water Resources Research 53, 2346-2367.

Li, L., Maher, K., Navarre-Sitchler, A., Druhan, J., Meile, C., Lawrence, C., Moore, J., Perdrial, J., Sullivan, P., Thompson, A., Jin, L., Bolton, E.W., Brantley, S.L., Dietrich, W.E., Mayer, K.U., Steefel, C.I., Valocchi, A., Zachara, J., Kocar, B., McIntosh, J., Tutolo, B.M., Kumar, M., Sonnenthal, E., Bao, C. and Beisman, J. (2017b) Expanding the role of reactive transport models in critical zone processes. Earth-Sci. Rev. 165, 280-301.

Lichtner, P. C. (1985). "Continuum Model for Simultaneous Chemical-Reactions and Mass- Transport in Hydrothermal Systems." Geochimica et Cosmochimica Acta 49(3): 779-800.

Lichtner, P. C. (1988). "The Quasi-Stationary State Approximation to Coupled Mass- Transport and Fluid-Rock Interaction in a Porous-Medium." Geochim. Cosmochim. Acta. 52(1): 143-165.

Lichtner, P. C., C. I. Steefel and E. H. Oelkers, Eds. (1996). Reactive transport in porous media. Reviews in Mineralogy, MIneralogical society of America.

Liu, C., J. Shang, H. Shan and J. M. Zachara (2013). "Effect of Subgrid Heterogeneity on Scaling Geochemical and Biogeochemical Reactions: A Case of U(VI) Desorption." Environmental Science & Technology 48(3): 1745-1752.

MacQuarrie, K. T. B. and K. U. Mayer (2005). "Reactive transport modeling in fractured rock: A state-of-the-science review." Earth-Science Reviews 72(3-4): 189-227.

Mayer, K. U., S. G. Benner, E. O. Frind, S. F. Thornton and D. N. Lerner (2001). "Reactive transport modeling of processes controlling the distribution and natural attenuation of phenolic compounds in a deep sandstone aquifer." Journal of Contaminant Hydrology 53(3-4): 341-368.

Mayer, K. U., E. O. Frind and D. W. Blowes (2002). "Multicomponent reactive transport modeling in variably saturated porous media using a generalized formulation for kinetically controlled reactions." Water Resources Research 38(9).

Molins, S., D. Trebotich, C. I. Steefel and C. Shen (2012). "An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation." Water Resources Research 48.

Navarre-Sitchler, A. K., R. M. Maxwell, E. R. Siirila, G. E. Hammond and P. C. Lichtner (2013). "Elucidating geochemical response of shallow heterogeneous aquifers to CO2 leakage using high-performance computing: Implications for monitoring of CO2 sequestration." Advances in Water Resources 53(0): 45-55.

Ortoleva, P., E. Merino, C. Moore and J. Chadam (1987). "Geochemical self-organization, I. Feedbacks, quantitative modeling." Am J Sci 287: 979–1007.

Parkhurst, D. L. and C. A. J. Appelo (1999). User’s guide to PHREEQC (Version 2)—A computer program for speciation, batch reaction, 1 dimensional transport, and inverse geochemical calculation: 310.

Regnier, P., S. Arndt, N. Goossens, C. Volta, G. G. Laruelle, R. Lauerwald and J. Hartmann (2013). "Modelling Estuarine Biogeochemical Dynamics: From the Local to the Global Scale." Aquatic geochemistry 19(5-6): 591-626.

Roelandt, C., Y. Goddéris, M. P. Bonnet and F. Sondag (2010). "Coupled modeling of biospheric and chemical weathering processes at the continental scale." Global Biogeochemical Cycles 24(2): GB2004.

Saunders, J. A. and L. E. Toran (1995). "Modeling of radionuclide and heavy metal sorption around low- and high-{pH} waste disposal sites at {Oak Ridge, Tennessee}." Appl. Geochem. 10(6): 673-684.

Scheibe, T. D., Y. Fang, C. J. Murray, E. E. Roden, J. Chen, Y.-J. Chien, S. C. Brooks and S. S. Hubbard (2006). "Transport and biogeochemical reaction of metals in a physically and chemically heterogeneous aquifer." Geosphere 2(4): doi: 10.1130/GES00029.00021.

Scheibe, T. D., R. Mahadevan, Y. Fang, S. Garg, P. E. Long and D. R. Lovley (2009). "Coupling a genome-scale metabolic model with a reactive transport model to describe in situ uranium bioremediation." Microbial Biotechnology 2(2): 274-286.

Soetaert, K., P. M. J. Herman and J. J. Middelburg (1996). "A model of early diagenetic processes from the shelf to abyssal depths." Geochimica et Cosmochimica Acta 60(6): 1019-1040.

Soler, J. M. and U. K. Mader (2005). "Interaction between hyperalkaline fluids and rocks hosting repositories for radioactive waste: Reactive transport simulations." Nuclear Science and Engineering 151(1): 128-133.

Steefel, C. I., C. A. J. Appelo, B. Arora, D. Jacques, T. Kalbacher, O. Kolditz, V. Lagneau, P. C. Lichtner, K. U. Mayer, J. C. L. Meeussen, S. Molins, D. Moulton, H. Shao, J. Šimůnek, N. Spycher, S. B. Yabusaki and G. T. Yeh (2015). "Reactive transport codes for subsurface environmental simulation." Computational Geosciences 19(3): 445-478.

Steefel, C. I., D. J. DePaolo and P. C. Lichtner (2005). "Reactive transport modeling: An essential tool and a new research approach for the Earth Sciences." Earth and Planetary Science Letters 240: 539-558.

Steefel, C. I. and A. C. Lasaga (1994). "A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems." Am. J. Sci. 294: 529-592.

Steefel, C. I. and A. C. Lasaga (1994). "A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems." American Journal of Science 294(5): 529-592.

Van Cappellen, P. and Y. F. Wang (1996). "Cycling of iron and manganese in surface sediments: a general theory for the coupled transport and reaction of carbon, oxygen, nitrogen, sulfur, iron, and manganese." Am J Sci 296: 197-243.

White, M. D. and M. Oostrom (2000). STOMP: Subsurface Transport Over Multiple Phases (Version 2.0): Theory Guide. Richland, WA.

Wolery, T. J., K. J. Jackson, W. L. Bourcier, C. J. Bruton, B. E. Viani, K. G. Knauss and J. M. Delany (1990). "CURRENT STATUS OF THE EQ3/6 SOFTWARE PACKAGE FOR GEOCHEMICAL MODELING." Acs Symposium Series 416: 104-116.

Xu, T. F., S. P. White, K. Pruess and G. H. Brimhall (2000). "Modeling of pyrite oxidation in saturated and unsaturated subsurface flow systems." Transport Porous Med 39(1): 25-56.

Yabusaki, S. B., Y. Fang, K. H. Williams, C. J. Murray, A. L. Ward, R. D. Dayvault, S. R. Waichler, D. R. Newcomer, F. A. Spane and P. E. Long (2011). "Variably saturated flow and multicomponent biogeochemical reactive transport modeling of a uranium bioremediation field experiment." Journal of Contaminant Hydrology 126(3-4): 271-290.

Yeh, G.-T. and V. S. Tripathi (1991). "A Model for Simulating Transport of Reactive Multispecies Components: Model Development and Demonstration." Water Resources Research 27(12): 3075-3094.

Yeh, G. T. and V. S. Tripathi (1989). "A critical evaluation of recent developments in hydrogeochemical transport models of reactive multichemical components." Water Resources Research 25(1): 93-108.

Yoon, H., A. J. Valocchi, C. J. Werth and T. Dewers (2012). "Pore-scale simulation of mixing-induced calcium carbonate precipitation and dissolution in a microfluidic pore network." Water Resources Research 48.