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User's Guide to PHREEQC


Appelo, C.A.J., 1994, Cation and proton exchange, pH variations, and carbonate reactions in a freshening aquifer: Water Resources Research, v. 30, p. 2793-2805.

Appelo, C.A.J., and Postma, D., 1993, Geochemistry, groundwater and pollution: Rotterdam, A.A. Balkema, 536 p.

Ball, J.W. and Nordstrom, D.K., 1991, WATEQ4F--User's manual with revised thermodynamic data base and test cases for calculating speciation of major, trace and redox elements in natural waters: U.S. Geological Survey Open-File Report 90-129, 185 p.

Barrodale, I., and Roberts, F.D.K., 1980, L1 solution to linear equations subject to linear equality and inequality constraints: Association for Computing Machinery, Transactions on Mathematical Software, v. 6, p. 231-235.

Borkovec, Michal, and Westall, John, 1983, Solution of the Poisson-Boltzmann equation for surface excesses of ions in the diffuse layer at the oxide-electrolyte interface: Journal of Electroanalytical Chemistry, v. 150, p. 325-337.

Carpenter, A.B., 1978, Origin and chemical evolution of brines in sedimentary basins: Thirteenth Annual Forum on the Geology of Industrial Minerals, eds. Johnson, K.S. and Russell, J.A., Oklahoma Geological Survey Circular 79, p. 60-77.

Davis, J.A., and Kent, D.B, 1990, Surface complexation modeling in aqueous geochemistry, in Hochella, M.F., and White, A.F., eds., Mineral-Water Interface Geochemistry: Washington D.C., Mineralogical Society of America, Reviews in Mineralogy, vol. 23, Chapt. 5, p.177-260.

Dzombak, D.A., and Morel, F.M.M., 1990, Surface complexation modeling--Hydrous ferric oxide: New York, John Wiley, 393 p.

Gaines, G.L., and Thomas, H.C., 1953, Adsorption studies on clay minerals. II. A formulation of the thermodynamics of exchange adsorption: Journal of Chemical Physics, v. 21, p. 714-718.

Garrels, R.M., and Christ, C.L., 1965, Solutions, minerals, and equilibria: New York, Harper and Row, 450 p.

Garrels, R.M, and Mackenzie, F.T., 1967, Origin of the chemical composition of springs and lakes, in Equilibrium concepts in natural water systems: American Chemical Society, Advances in Chemistry Series no. 67, p. 222-242.

Harvie, C.E., Moller, N., and Weare, J.H., 1984, The prediction of mineral solubilities in natural waters: The Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O system to high ionic strengths at 25oC: Geochimica et Cosmochimica Acta, v. 48, p. 723-751.

Harvie, C.E., and Weare, J.H., 1980, The prediction of mineral solubilities in natural waters: The Na-K-Mg-Ca-Cl-SO4-H2O system from zero to high concentration at 25oC: Geochimica et Cosmochimica Acta, v. 44, p. 981-997.

Helgeson, H.C., Brown, T.H., Nigrini, A., and Jones, T.A., 1970, Calculation of mass transfer in geochemical processes involving aqueous solutions: Geochimica et Cosmochimica Acta, v. 34, p. 569-592.

Helgeson, H.C., Garrels, R.M., and Mackenzie, F.T., 1969, Evaluation of irreversible reactions in geochemical processes involving minerals and aqueous solutions - II. Applications: Geochimica et Cosmochimica Acta, v. 33, p. 455-481.

Mosier, E.L., Papp, C.S.E., Motooka, J.M., Kennedy, K.R., and Riddle, G.O., 1991, Sequential extraction analyses of drill core samples, Central Oklahoma Aquifer, U.S. Geological Survey Open-File Report 91-347, 42 p.

Nordstrom, D.K., Plummer, L.N., Langmuir, Donald, Busenberg, Eurybiades, May, H.M., Jones, B.F., and Parkhurst, D.L., 1990, Revised chemical equilibrium data for major water-mineral reactions and their limitations, in Bassett, R.L. and Melchior, D. eds., Chemical modeling in aqueous systems II: Washington D.C., American Chemical Society Symposium Series 416, Chapter 31, p 398-413.

Nordstrom, D.K., Plummer, L.N., Wigley, T.M.L., Wolery, T.J., Ball, J.W., Jenne, E.A., Bassett, R.L., Crerar, D.A., Florence, T.M., Fritz, B., Hoffman, M., Holdren, G.R., Jr., Lafon, G.M., Mattigod, S.V., McDuff, R.E., Morel, F., Reddy, M.M., Sposito, G., and Thrailkill, J., 1979, A comparison of computerized chemical models for equilibrium calculations in aqueous systems: in Chemical Modeling in aqueous systems, speciation, sorption, solubility, and kinetics, Jenne, E.A., ed., Series 93, American Chemical Society, p. 857-892.

Parkhurst, D.L., Christenson, Scott, and Breit, G.N., 1993, Ground-water-quality assessment of the Central Oklahoma Aquifer-- Geochemical and geohydrologic investigations: United States Geological Survey Open-File Report 92-642, 113 p. (To be published as United States Geological Survey Water-Supply Paper 2357-C.)

Parkhurst, D. L., Plummer, L.N., and Thorstenson, D.C., 1982, BALANCE--A computer program for calculating mass transfer for geochemical reactions in ground water. U.S. Geological Survey Water-Resources Investigations Report 82-14, 29 p.

Parkhurst, D.L., Thorstenson, D.C., and Plummer, L.N., 1980, PHREEQE--A computer program for geochemical calculations: U.S. Geological Survey Water-Resources Investigations Report 80-96, p. 195. (Revised and reprinted August, 1990.)

Pitzer, K.S., 1979, Theory--Ion interaction approach: in R.M. Pytkowicz, ed., Activity Coefficients in Electrolyte Solutions, v. 1, CRC Press, Inc., Boca Raton, Florida, p. 157-208.

Plummer, L.N., 1984, Geochemical modeling: A comparison of forward and inverse methods, in Hitchon, B., and Wallick, E.I., eds., First Canadian/American Conference on Hydrogeology, Practical Applications of Ground Water Geochemistry: Worthington, Ohio, National Water Well Association, p. 149-177.

Plummer, L.N. and Back, W.W. 1980, The mass balance approach--Application to interpreting the chemical evolution of hydrologic systems: American Journal of Science, v. 280, p. 130-142.

Plummer, L.N., Busby, J.F., Lee, R.W., and Hanshaw, B.B., 1990, Geochemical modeling of the Madison aquifer in parts of Montana, Wyoming, and South Dakota: Water Resources Research, v. 26, p. 1981-2014.

Plummer, L.N., Parkhurst, D.L., Fleming, G.W., and Dunkle, S.A., 1988, A computer program incorporating Pitzer's equations for calculation of geochemical reactions in brines: U.S. Geological Survey WaterResources Investigations Report 88-4153, 310 p.

Plummer, L.N., Parkhurst, D.L., and Thorstenson, D.C., 1983, Development of reaction models for groundwater systems: Geochimica et Cosmochimica Acta, v. 47, p. 665-685.

Plummer, L.N., Prestemon, E.C., and Parkhurst, D.L., 1991, An interactive code (NETPATH) for modeling net geochemical reactions along a flow path: U.S. Geological Survey WaterResources Investigations Report 91-4087, 227 p.

Plummer, L.N., Prestemon, E.C., and Parkhurst, D.L., 1994, An interactive code (NETPATH) for modeling net geochemical reactions along a flow path, version 2.0: U.S. Geological Survey WaterResources Investigations Report 94-4169, 130 p.

Robie, R.A., Hemingway, B.S., and Fisher, J.R., 1978, Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (105 pascals) pressure and at higher temperatures: U.S. Geological Survey Bulletin 1452, 456 p.

Truesdell, A.H., and Jones, B.F., 1974, WATEQ, A computer program for calculating chemical equilibria of natural waters: Journal of Research, U.S. Geological Survey, v. 2, p. 233-274.

Waite, T.D., Davis, J.A., Payne, T.E., Waychunas, G.A., and Xu, N., 1994, Uranium(VI) adsorption to ferrihydrite: Application of a surface complexation model: Geochimica et Cosmochimica Acta, v. 59, p. 5465-5478.

Wolery, T. J., 1979, Calculation of Chemical Equilibrium Between Aqueous Solution and Minerals: The EQ3/6 Software Package. Livermore, CA: Lawrence Livermore National Laboratory, Report UCRL-52658.

Wolery, T. J., Jackson, K.J., Bourcier, W.L., Bruton, C.J., Viani, B.E., Knauss, K.G., and Delany, J.N., 1990, Current status of the EQ3/6 software package for geochemical modeling, in Melchior, D.C., and Bassett, R.L., eds., Chemical Modeling of Aqueous Systems II: Washington D. C., American Chemical Society Symposium Series 416, p. 104116.

User's Guide to PHREEQC - 07 MAY 96
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