TOUGHREACT—A simulation program for non-isothermal multiphase reactive geochemical transport in variably saturated geologic media: Applications to geothermal injectivity and CO2 geological sequestration

Apps, 1996, An approach to modeling of the chemistry of waste fluid disposal in deep saline aquifers, 465

Bächler, D., 2003. Coupled thermal-hydraulic-chemical modeling at the Soultz-sous-Forêts HDR reservoir (France). Ph.D. Dissertation, Swiss Federal Institute of Technology, Zurich, Switzerland.

Corey, 1954, The interrelation between gas and oil relative permeabilities, Producers Monthly, 38

de Siqueira, 1999, The structure of pore fluids in swelling clays at elevated pressures and temperatures, Journal of Physics: Condensed Matter, 11, 9179, 10.1088/0953-8984/11/47/305

Dobson, 2003, Experimental and numerical simulation of dissolution and precipitation: implications for fracture sealing at Yucca Mountain, Nevada, Journal of Contaminant Hydrology, 62–63, 459, 10.1016/S0169-7722(02)00155-9

Dobson, 2004, Simulation of water-rock interaction in the Yellowstone geothermal system using TOUGHREACT, Geothermics, 33, 493, 10.1016/j.geothermics.2003.10.002

Durst, D., 2002. Geochemical modeling of the Soultz-sous-Forêts hot dry rock test site: coupled fluid–rock interaction to heat and fluid transport. Ph.D. Dissertation, Université de Neuchâtel, France.

Ennis-King, J., Paterson, L., 2003. Role of convective mixing of the long-term storage of carbon dioxide in deep saline formations. Paper SPE 84344, Presented at Society of Petroleum Engineers Annual Fall Technical Conference and Exhibition, Denver, CO, October.

Gunter, 1997, Aquifer disposal of CO2-rich greenhouse gases: extension of the time scale of experiment for CO2-sequestering reactions by geochemical modeling, Mineralogy and Petrology, 59, 121, 10.1007/BF01163065

Helgeson, 1981, American Journal of Science, 281, 1249, 10.2475/ajs.281.10.1249

Jacquot, E., 2000. Modéllisation thermodynamique et cinétique des reactions géochimiques entre fluids de basin et socle cristalline. Application au site experimental du programme européen de recherché en géothermie profonde (Soultz-sous-Forêts, Bas Rhin, France). Ph.D. Dissertation, Université Louis Pasteur, Strasbourg, France.

Johnson, J.W., Nitao, J.J., Steefel, C.I., Knaus, K.G., 2001. Reactive transport modeling of geologic CO2 sequestration in saline aquifers: the influence of intra-aquifer shales and the relative effectiveness of structural, solubility, and mineral trapping during prograde and retrograde sequestration. In: Proceedings of the First National Conference on Carbon Sequestration, Washington, DC, May 14–17.

Kim, 2004, Coupled processes of fluid flow, solute transport, and geochemical reactions in reactive barriers, Vadose Zone Journal, 3, 867, 10.2136/vzj2004.0867

Kiryukhin, 2004, Thermal–hydrodynamic–chemical (THC) modeling based on geothermal field data, Geothermics, 33, 349, 10.1016/j.geothermics.2003.09.005

Knauss, 2005, Evaluation of the impact of CO2, co-contaminant gas, aqueous fluid and reservoir rock interactions on the geologic sequestration of CO2, Chemical Geology, 217, 339, 10.1016/j.chemgeo.2004.12.017

Korbol, 1995, Sleipner vest CO2 disposal—injection of removed CO2 into the Utsira Formation, Energy Conversion Management, 36, 509, 10.1016/0196-8904(95)00055-I

Lasaga, 1994, Chemical weathering rate laws and global geochemical cycles, Geochimica et Cosmochimica Acta, 58, 2361, 10.1016/0016-7037(94)90016-7

Lichtner, 1988, The quasi-stationary state approximation to coupled mass transport and fluid–rock interaction in a porous medium, Geochimica et Cosmochimica Acta, 52, 143, 10.1016/0016-7037(88)90063-4

Lohuis, 1993, Carbon dioxide disposal and sustainable development in the Netherlands, Energy Conversion Management, 34, 815, 10.1016/0196-8904(93)90024-5

McPherson, B.J.O.L., Lichtner, P.C., 2001. CO2 sequestration in deep aquifers. In: Proceedings of First National Conference on Carbon Sequestration, Washington, DC.

Moore, 1983, Chemical reactions accompanying fluid flow through granite held in a temperature gradient, Geochimica et Cosmochimica Acta, 47, 445, 10.1016/0016-7037(83)90267-3

Moore, 2005, Mineralogical and geochemical consequences of the long-term presence of CO2 in natural reservoirs: an example from the Springerville-St. Johns Field, Arizona, and New Mexico, USA, Chemical Geology, 217, 365, 10.1016/j.chemgeo.2004.12.019

Nagy, 1995, Dissolution and precipitation kinetics of sheet silicates, Chemical Weathering Rates of Silicate Minerals, 31, 291

Narasimhan, 1976, An integrated finite difference method for analyzing fluid flow in porous media, Water Resources Research, 12, 57, 10.1029/WR012i001p00057

Palandri, J., Kharaka, Y.K., 2004. A compilation of rate parameters of water–mineral interaction kinetics for application to geochemical modeling. US Geological Survey Open File Report 2004-1068, 64pp.

Pruess, 1985, A practical method for modeling fluid and heat flow in fractured porous media, Society of Petroleum Engineers Journal, 25, 14, 10.2118/10509-PA

Pruess, 1999

Richards, 1931, Capillary conduction of liquids through porous mediums, Physics, 1, 318, 10.1063/1.1745010

Simunek, 1994, Two-dimensional transport model for variably saturated porous media with major ion chemistry, Water Resource Research, 30, 1115, 10.1029/93WR03347

Singleton, 2004, Multiphase reactive transport modeling of seasonal infiltration events and stable isotope fractionation in unsaturated zone pore water and vapor at the Hanford site, Vadose Zone Journal, 3, 775, 10.2136/vzj2004.0775

Slider, 1976

Sonnenthal, 2000

Spycher, 2003, Fluid flow and reactive transport around potential nuclear waste emplacement tunnels at Yucca Mountain, Nevada, Journal of Contaminant Hydrology, 62–63, 653, 10.1016/S0169-7722(02)00183-3

Steefel, 2001

Steefel, 1994, A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with applications to reactive flow in single phase hydrothermal system, American Journal of Science, 294, 529, 10.2475/ajs.294.5.529

Steefel, 1996, Approaches to modeling of reactive transport in porous media, vol. 34, 83

Steefel, 1990, A new kinetic approach to modeling water-rock interaction: the role of nucleation, precursors and Ostwald ripening, Geochimica et Cosmochimica Acta, 54, 2657, 10.1016/0016-7037(90)90003-4

Todaka, 2004, Reactive geothermal transport simulations to study the formation mechanism of an impermeable barrier between acidic and neutral fluid zones in the Onikobe geothermal field, Japan, Journal of Geophysical Research, 109, B05209, 10.1029/2003JB002792

Van Genuchten, 1980, A closed-form equation for predicting the hydraulic conductivity of unsaturated soils, Journal of American Soil Science Society, 44, 892, 10.2136/sssaj1980.03615995004400050002x

Vaughan, 1987, Analysis of permeability reduction during flow of heated, aqueous fluid through Westerly Granite, 529

Verma, 1988, Thermohydrological conditions and silica redistribution near high-level nuclear wastes emplaced in saturated geological formations, Journal of Geophysical Research, 93, 1159, 10.1029/JB093iB02p01159

Vinsome, 1980, A simple method for predicting cap and base rock heat losses in thermal reservoir simulators, Journal of Canadian Petroleum Technology, 19, 87, 10.2118/80-03-04

Walter, 1994, Modeling of multicomponent reactive transport in groundwater: 1, Model development and evaluation, Water Resource Research, 30, 3137, 10.1029/94WR00955

Watson, 2004, The Ladbroke Grove–Katnook carbon dioxide natural laboratory: a recent CO2 accumulation in a lithic sandstone reservoir, Energy, 29, 1457, 10.1016/j.energy.2004.03.079

White, 1995, Multiphase non-isothermal transport of systems of reacting chemicals, Water Resource Research, 31, 1761, 10.1029/95WR00576

White, 2005, Simulation of reactive transport of injected CO2 on the Colorado Plateau, Utah, USA, Chemical Geology, 217, 387, 10.1016/j.chemgeo.2004.12.020

Wolery, 1992

Xu, 1998

Xu, 2001, On fluid flow and mineral alteration in fractured caprock of magmatic hydrothermal systems, Journal of Geophysical Research, 106, 2121, 10.1029/2000JB900356

Xu, 2001, Modeling multiphase non-isothermal fluid flow and reactive geochemical transport in variably saturated fractured rocks: 1. Methodology, American Journal of Science, 301, 16, 10.2475/ajs.301.1.16

Xu, 1999, An improved equilibrium-kinetics speciation algorithm for redox reactions in variably saturated flow systems, Computers & Geosciences, 25, 655, 10.1016/S0098-3004(99)00005-9

Xu, 1999, Modeling of non-isothermal multi-component reactive transport in field-scale porous media flow system, Journal of Hydrology, 214, 144, 10.1016/S0022-1694(98)00283-2

Xu, 2000, Modeling of pyrite oxidation in saturated and unsaturated subsurface flow systems, Transport in Porous Media, 39, 25, 10.1023/A:1006518725360

Xu, 2001, Modeling multiphase non-isothermal fluid flow and reactive geochemical transport in variably saturated fractured rocks: 2. Applications to supergene copper enrichment and hydrothermal flows, American Journal of Science, 301, 34, 10.2475/ajs.301.1.34

Xu, 2003, Reactive geochemical transport simulation to study mineral trapping for CO2 disposal in deep arenaceous formations, Journal of Geophysical Research, 108, 2071, 10.1029/2002JB001979

Xu, 2003, A reaction-transport model for calcite precipitation and evaluation of infiltration fluxes in unsaturated fractured rock, Journal of Contaminant Hydrology, 64, 113, 10.1016/S0169-7722(02)00089-X

Xu, 2004, Reactive transport modeling of injection well scaling and acidizing at Tiwi Field, Philippines, Geothermics, 33, 477, 10.1016/j.geothermics.2003.09.012

Xu, 2004, Numerical simulation to study mineral trapping for CO2 disposal in deep aquifers, Applied Geochemistry, 19, 917, 10.1016/j.apgeochem.2003.11.003

Xu, 2004

Yeh, 1991, A model for simulating transport of reactive multispecies components: model development and demonstration, Water Resource Research, 27, 3075, 10.1029/91WR02028