Reaction-Transport Modeling in Ground-Water Systems

In order to address urgent problems in contaminant migration and to understand many natural geologic processes, we need to be able to model the movement of substances undergoing chemical reactions in ground-water systems. Predictive models will be used to assess the risks of nuclear- and chemical-waste disposal, to analyze contaminant migration from pollution sources, and to determine the susceptibility of aquifers to contamination. Models also are needed to investigate many rock-water interactions, such as the formation of ore deposits and the evolution of ground-water chemistry. The long-range goals of the project are (1) to develop reaction-transport models with varying levels of complexity and data requirements, providing guidelines for the appropriate application of these models given field conditions and limited resources; (2) to incorporate the effects of surface-chemistry phenomena into reaction-transport modeling; (3) to develop methods to identify and quantify important chemical and biological reactions affecting transport of inorganic and organic substances; and (4) to compile estimates of reaction rates and reaction-rate laws for chemical and biological reactions. For models and for additional information about work being done by this project, see project's home page

REPORTS PUBLISHED 1999-2008

Schmidt, H.C. Ross, Ziegler, A.C., and Parkhurst, D.L., 2007, Geochemical effects of induced stream-water and artificial recharge on the Equus Beds aquifer, south-central Kansas, 1995-2004: U.S. Geological Survey Scientific Investigations Report 2007-5025, 58 p. (on-line abstract or on-line report in pdf format, 3 MB)

Christenson, S., Parkhurst, D., Hunt, A,G., Athay, D., 2006, Age-dating ground water beneath Tinker Air Force Base, Midwest City, Oklahoma, 2003-04 : U.S. Geological Survey Fact Sheet 2005-3099, 4p. (on-line fact sheet)

Winograd, I. J., Landwehr, J. M., Coplen, T.B., Sharp, W.D., Riggs, A.C., Ludwig, K.R., and Kolesar, P.T., 2006, Devils Hole, Nevada, d¹⁸O Record Extended to the Mid-Holocene: Quaternary Research, v. 66, p. 202-212. (on-line abstract of journal article)

Kolesar, P.T., and Riggs, A.C., 2004, Influence of depositional environment on Devils Hole calcite morphology and petrology, in Sasowsky, I.D., and Mylroie, J., eds., Studies of Cave Sediments -- Physical and Chemical Records of Paleoclimate: New York, Kluwer Academic/Plenum Publishers, p. 227-241.

Parkhurst, D.L., Kipp, K.L., Engesgaard, Peter, and Charlton, S.R., 2004, PHAST--A program for simulating ground-water flow, solute transport, and multicomponent geochemical reactions: U.S. Geological Survey Techniques and Methods 6-A8, 154 p. (on-line abstract or on-line report in pdf format, 2.1 MB)

Petkewich, M.D., Parkhurst, D.L., Conlon, K.J., Campbell, B.G., and Mirecki, J.E., 2004, Hydrologic and Geochemical Evaluation of Aquifer Storage Recovery in the Santee Limestone/Black Mingo Aquifer, Charleston, South Carolina, 1998-2002: U.S. Geological Survey Scientific Investigations Report 2004-5046, 92 p. (on-line abstract or on-line report in pdf format, 33.2 mb)

Riggs, A.C., and Deacon, J.E., 2004, Connectivity in desert aquatic ecosystems - The Devils Hole Story, in Sada, D.W., and Sharpe, S.E., eds., Spring-fed Wetlands, Important Scientific and Cultural Resources of the Intermountain Region, Las Vegas, Nev., May 7-9, 2002, Proceedings: DHS Publication No. 41210, p. 1-38. (on-line paper, in pdf format)

Thorstenson, D.C., and Parkhurst, D.L., 2004, Calculation of individual isotope equilibrium constants for geochemical reactions: Geochimica et Cosmochimica Acta, v. 68, p. 2,449-2,465. (on-line abstract)

Parkhurst, D.L., Stollenwerk, K.G., and Colman, J.A., 2003, Reactive-transport simulation of phosphorus in the sewage plume at the Massachusetts Military Reservation, Cape Cod, Massachusetts, U.S. Geological Survey Water-Resources Investigations Report 03-4017, 33 p. (on-line abstract or report in pdf format - 2.4MB)

Charlton, S.R., and Parkhurst, D.L., 2002, PHREEQCl--A graphical user interface to the geochemical model PHREEQC: U.S. Geological Survey Fact Sheet FS-031-02. (on-line fact sheet)

Parkhurst, D.L., and Kipp, K.L., 2002, Parallel processing for PHAST--a three-dimensional reactive-transport simulator, in Hassanizadeh, S.M., Schlotting, R.J., Gray, W.H., and Pinder, G.F., eds., Computational Methods in Water Resources: Amsterdam, The Netherlands, Elsevier, Developments in Water Science 47, v. 1, p. 711-718.

Parkhurst, D.L., and Petkewich, M.D., 2002, Geochemical modeling of an aquifer storage recovery experiment, Charleston, South Carolina, in Aiken, G.R., and Kuniansky, E.L., eds., U.S. Geological Survey Artificial Recharge Workshop Proceedings, Sacramento, California: U.S. Geological Survey Open-File Report 02-89, p. 37-40. (on-line abstract)

Thorstenson, D.C., and Parkhurst, D.L., 2002, Calculation of individual isotope equilibrium constants for implementation in geochemical models: U.S. Geological Survey Water-Resources Investigations Report 02-4172, 129 p. (on-line report)

Parkhurst, D.L, Thorstenson, D.C., and Kipp, K.L., 2000, Calculating carbon-isotope compositions in an unsaturated zone with seasonally varying CO2 production, in Wang, Yanzin, ed., Proceedings of the International Symposium on Hydrogeology and the Environment: October 17-21, Wuhan, Peoples Republic of China, p. 220-224.

Parkhurst, D.L., and Appelo, C.A.J., 1999, User's guide to PHREEQC--A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations: U.S. Geological Survey Water-Resources Investigations Report 99-4259. (version 2 update on-line)

Stollenwerk, K.G., and Parkhurst, D.L., 1999, Modeling the evolution and natural remediation of ground-water sewage plume, in Morganwalp, D.W., and Buxton, H.T., eds., U.S. Geological Survey Toxic Substances Hydrology Program--Proceedings of the Technical Meeting, Charleston, South Carolina, March 8-12, 1999--Volume 3--Subsurface Contamination from Point Sources: U.S. Geological Survey Water-Resources Investigations Report 99-4018C, p. 371-382. (on-line abstract)

FOR ADDITIONAL INFORMATION ABOUT THIS PROJECT, CONTACT:
David L. Parkhurst
U.S. Geological Survey, P.O. Box 25046, ms413, Denver Federal Center, Lakewood, CO
Internet: dlpark@usgs.gov
Telephone: 303-236-5098

Alan C Riggs
U.S. Geological Survey, P.O. Box 25046, MS413, Denver Federal Center, Lakewood, CO
Internet: ariggs@usgs.gov
Telephone: 303-236-5182
For bibliographic citations prior to 2001 for Alan Riggs, see Characterization of Biotic and Biogeochemical Interactions at Environmental Interfaces , Field Applications of Unsaturated Zone Field Theory, and/or Interface of Plaeoclimatology and Aquifer Geochemistry.

For information on additional projects in the National Research Program, see Indexes to NRP projects and bibliographies