Abstract
A species transported through the subsurface is either reactive or non-reactive (conservative). Transport codes for non-reactive species were discussed in Chapter 3. When a reactive species is transported through the subsurface it may undergo chemical and microbiological processes that will retard and transform the species. In short, these types of processes will be called reactions.
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References
Abriola, L.M., Modeling contaminant transport in the subsurface: an interdisciplinary challenge, Reviews of Geophysics, Vol. 25(2), pp. 125–134, 1987.
Alexander M, and K.M. Scow, Kinetics of biodegradation in soil, Reactions and movement of organic chemicals in soils, Soil Science Society of America Special Publication no. 22, 243-267, 1989.
Anderson, M.P., Using models to simulate the movement of contaminants through groundwater flow systems, CRC Critical Reviews in Environmental Control, Vol 9(2), 97–156, 1979.
Appelo, C.A.J, and D. Postma, Geochemistry, Groundwater and Pollution, A.A. Balkema, Rotterdam, 536 pp, 1993.
Appelo, C.A.J., and A. Willemsen, Geochemical calculations and observations on salt water intrusions, I. A combined geochemical/mixing cell model, J. Hydrol., 94, 313–330, 1987.
Baedecker, M.J., I.M. Cozzarelli, R.P. Eganhouse, D.I. Siegel, and P.C. Bennett, Crude oil in a shallow sand and gravel aquifer-III. Biogeochemical reactions and mass balance modeling in anoxic groundwater, Applied Geochemicstry, 8, 569–586, 1993.
Bahr, J.M., and J. Rubin, Direct comparison of kinetic and local equilibrium formulations for solute transport affected by surface reactions, Water Resour. Res., 23, 438–452, 1987.
Bahr, J.M, Kinetically influenced terms for solute transport affected by heterogeneous and homogeneous classical reactions, Water Resour. Res., 2, 21–34, 1990.
Baveye P, and A. Valocchi, An evaluation of mathematical models of the transport of biologically reacting solutes in saturated soils and aquifers, Water Resour. Res., 25(6), 1413–1421, 1989.
Bear, J., Dynamics of Fluids in Porous Media, Elsevier, New York, 1972.
Bjerg, P.L., H.C. Ammentorp, and T.H. Christensen, Model simulations of a field experiment on cation exchange-affected multicomponent solute transport in a sandy aquifer, J. Contam. Hydrol., 12, 291–311, 1993.
Borden, R.C., and P.B. Bedient, Transport of dissolved hydrocarbons influenced by oxygen-limited biodegradation 1. Theoretical development, Water Resour. Res., 22(13), 1973–1982, 1986a.
Borden, R.C., and P.B. Bedient, Transport of dissolved hydrocarbons influenced by oxygen-limited biodegradation 2. Field application, Water Resour. Res., 22(13), 1983–1990, 1986b.
Bouwer, E.J., and G.D. Cobb; Modeling of biological processes in the subsurface, Wat. Sci. Tech., 19, 769–779, 1987.
Brun, A., E.O. Frind, and P. Engesgaard, A coupled microbiology-geochemistry model for threedimensional groundwater flow, Proceedings of the IAHR/AIRH symposium on transport and reactive processes in aquifers, Zurich, Switzerland, 11-15 April, 1994.
Brusseau, M.L., Transport of reactive contaminants in heterogeneous porous media, Reviews of Geophysics, 32(3), 285–313, 1994.
Cederberg, G.A., R.L. Street, J.O. Leckie, A groundwater mass transport and equilibrium chemistry model for multi-component systems, Water Resour. Res., 21, 1095–1104, 1985.
Celia, M.A., J.S. Kindred, and I. Herrera, Contaminant transport and biodegradation 1. A numerical model for reactive transport in porous media, Water Resour. Res., 25(6), 1141–1148, 1989.
Chen, Y-M, L.M. Abriola, P.J.J. Alvarez, P.J. Anid, and T.M. Vogel, Modeling transport and biodegradation of benzene and toluene in sandy aquifer material: comparisons with experimental measurements, Water Resour. Res., 28(7), 1833–1847, 1992.
Christensen, T.H., P. Kjeldsen, H-J. Albrecthsen, G. Heron, P.H. Nielsen, P.L. Bjerg, and P.E. Holm, Attenuation of landfill leachate pollutants in aquifers, Critical Reviews in Environmental Science and Technology, 24(2), 119–202, 1994.
Christiansen, J.S, Modelling reactive transport in the unsaturated zone, M.Sc. Thesis, Institute of Hydrodynamics and Hydraulic Engineering, Technical University of Denmark, 1994.
Dance, J.T., and E.J. Reardon, Migration of contaminants in groundwater at a landfill: A case study. 5. Cation migration in the dispersion test, J. Hydrol, 63, 109–130, 1983.
Engesgaard, P., and Th.H. Christensen, A review of chemical solute transport models, Nordic Hydrology, 19, 183–216, 1988.
Engesgaard, P., and K.L. Kipp, A geochemical model for redox-controlled movement of mineral fronts in ground-water flow systems: A case of nitrate removal by oxidation of pyrite, Water Resources Research, 28, 10, 2829–2843, 1992.
Engesgaard P., and R. Traberg, Contaminant transport at a waste residue deposit: 2. Geochemical transport modelling, (Accepted for publication in Water Resources Research 1995).
Engesgaard, P., K.L. Kipp, and T. Russell, Analysis of the operator splitting method for modelling reactive transport problems, (in preparation), 1995.
Forstner, R.A., A multicomponent transport model, Geoderma, 38, 1–4, 261-278, 1986.
Frind, E.O., W.H.M. Duyinsveld, O. Strebel, and J. Boettcher, Modeling of multicomponent transport with microbial transformation in groundwater: The Fuhrberg case, Water Resour. Res., 26(8), 1707–1719, 1990.
Friedly, J.C. and J. Rubin, Solute Transport with multiple equilibrium-controlled or kinetically controlled chemical reactions, Water Resour. Res., 28(6), 1935–1953, 1992.
Griffioen J, P. Engesgaard, A. Bran, D. Rodak, I. Mucha, and J.C. Refsgaard, Nitrate and Mnchemistry in the alluvial Danubian Lowland aquifer, Slovakia, Groundwater Quality: Remediation and Protection, (Proceedings of the Praque Conference, May 1995), IAHS Publ. no. 225, 1995.
Grove, D.B., and W.W. Wood, Prediction and field verification of subsurface-water quality changes during artificial recharge, Lubbock, Texas, Ground Water, 17, 250–257, 1979.
Grove, D.B., and K.G. Stollenwerk, Chemical reactions simulated by ground-water-quality models, Water Resour. Bull, 23(4) 601–615, 1987.
Hansen, B.K, and D. Postma, Acidification, buffering and salt effects in the unsaturated zone of a sandy aquifer, Klosterhede, Denmark, Water Resour. Res., 31, 2795–2809, 1995.
Herzer, J., and W. Kinzelbach, Coupling of transport and chemical processes in numerical transport models, Geoderma, 44, 115–127, 1989.
Jennings, A.A., and D.J. Kirkner, T.L. Theis, Multicomponent equilibrium chemistry in groundwater quality models, Water Resour. Res., 18, 1089–1096, 1982.
Jennings, A.A., and D.J. Kirkner, Instantaneous equilibrium approximation analysis, J. Hyd. Eng., ASCE 110, 1700–1717, 1984.
Jennings, A.A., Critical chemical reaction rates for multicomponent groundwater contamination models, Water Resour. Res., 23, 1775–1784, 1987.
Kalatzis, A., R.A. Garcia-Delgado, T-K Pang, A.D. Koussis, and A.R. Bowers,Two-dimensional groundwater transport of reactive solutes with competitive adsorption, Water Resour. Res., 29(7) 2241–2248, 1993.
Kaluarachchi, J.J., and J. Morshed, Critical assesment of the operator-splitting technique in solving the advection-dispersion-reaction equation: 1. First-order reaction, Advances in Water Resources, 18, 2, 89–100, 1995
Kinzelbach, W., W. Schafer, and J. Herzer, Numerical modeling of natural and enhanced denitrification in aquifers, Water Resour. Res., 27(6) 1123–1135, 1991.
Kindred, J.C., and M. Celia, Contaminant transport and biodegradation 2. Conceptual model and test simulations, Water Resour. Res., 25(6), 1149–1159, 1989.
Kirkner, D.J., T.L. Theis, A.A. Jennings, Multicomponent solute transport with sorption and soluble complexation, Adv. Water Resour., 1, 120–125, 1984.
Kirkner, D.J., A.A. Jennings, T.L. Theis, Multicomponent mass transport with chemical interaction kinetics, J. Hydrol 76, 107–117, 1985.
Kirkner D.J., H. Reeves, Multicomponent mass transport with homogeneous and heterogeneous chemical reactions: Effect of the chemistry on the choice of numerical algorithm, 1. Theory, Water Resour. Res., 24, 1719–1729, 1988.
Kjeldsen, P., Th.H. Christensen, and O. Hjelmar, Selection of parameters for groundwater quality monitoring at waste incinerator residue disposal sites, Environ. Tech. Letters, 5, 333–344, 1984.
Lewis, F.M, C.I. Voss, and J. Rubin, Solute transport with equilibrium aqueous complexation and either sorption or ion exchange, J. Hydrol., 90, 81–115, 1987.
Liu, C.W., T.N. Narasimhan, Redox-controlled multiple-species reactive chemical transport: 1. Model development, Water Resour. Res., 25, 869–882, 1989a.
Mangold D.Cr and C-F Tsang, A summary of subsurface hydrological and hydrochemical models, Reviews of Geophysics, 29(1) 51–79, 1991.
McNab, W.W. Jr., and T.N. Narasimhan, Modeling reactive transport of organic compounds in groundwater using a partial redox disequilibrium approach, Water Resour. Res., 30(9) 2619–2635,
1994.
McNab, W.W. Jr., and T.N. Narasimhan, Reactive transport of petroleum hydrocarbon constituents in a shallow aquifer: Modeling geochemical interactions between organic and inorganic speices, Water Resour. Res., 31(8) 2027–2033, 1995.
McQuarrie, K.T.B., E.A. Sudicky, and E.O. Frind, Simulation of biodegradable organic contaminants in groundwater, 1, Numerical formulation and model calibration, Water Resour. Res., 26(2) 207–222, 1990.
Miller, C.W., L.V. Benson, Simulation of solute transport in a chemically reactive heterogeneous system: Model development and application, Water Resour. Res., 19, 381–391, 1983.
Molz, F.J., M.A. Widdowson, and L.D. Benefield, Simulation of microbial growth dynamics coupled to nutrient and oxygen transport in porous media, Water Resour. Res., 22(8) 1207–1216, 1986.
Morshed J., and J.J. Kaluarachchi, Critical assesment of the operator-splitting technique in solving the advection-dispersion-reaction equation: 1. Monod kinetics and coupled transport, Advances in Water Resources, 18, 2, 101–110, 1995
Narasimhan, T.N., A.F. White, and T. Tokunaga, Groundwater contamination from an inactive uranium mill tailings pile, 2, Application of a dynamic mixing model, Water Resour. Res., 22, 1820–1834,1986.
Noorishad, J., C.L. Carnahan, L.V. Benson, Development of the non-equilibrium reactive chemical transport code CHEMTRNS, LBL-22361, Lawrence Berkeley Laboratory, University of California,Berkeley, 1987.
Parkhurst, D.L., P. Engesgaard, and K.L. Kipp, Coupling the geochemical model PHREEQC with a 3D multi-component solute-transport model, abstract, V.M. Goldschmidt Conference, May 24-26, The Pennsylvania State University, 1995.
Rainwater, K.A, W.R. Wise, and R.J. Charbeneau, Parameter estimation through groundwater tracer tests, Water Resour. Res., 23(10) 1901–1910, 1987.
Reardon EJ., Kdņs - Can they be used to describe reversible ion sorption reactions in contaminant migration?, Ground water, 19(3) 279–286.
Reeves, H., D.J. Kirkner, Multicomponentmass transport with homogeneous and heterogeneous chemical reactions: Effect of the chemistry on the choice of numerical algorithm, 2. Numerical results, Water Resour. Res., 24, 1730–1739, 1988.
Rittmann, B.E., The significance of biofilms in porous media, Water Resour. Res., 29(7) 2195–2202,
1993
Rubin, J., and R.V. James, Dispersion-affected transport of reacting solutes in saturated porous media: Galerkin method applied to equilibrium-controlled exchange in unidirectional steady water flow, Water Resour. Res., 9, 1332–1356, 1973.
Rubin, J., Transport of reacting solutes in porous media: Relation between mathematical nature of problem formulation and chemical nature of reactions, Water Resour. Res., 19, 1231–1252, 1983.
Rubin, J., Solute transport with multisegment, equilibrium-controlled reactions: A feedforward simulation method, Water Resour. Res., 26, 2029–2055, 1990.
Sanford, W.E., L.F. Konikow, Simulation of calcite dissolution and porosity changes in saltwater mixing zones in coastal aquifers, Water Resour. Res., 25(4) 655–667, 1989.
Šimunek, J., and D.L. Suraez, Two-dimensional transport model for variably saturated porous media with major ion chemistry, Water Resour. Res., 30, 1115–1133, 1994
Stollenwerk, K.G., Modeling the effects of variable groundwater chemistry on adsorption of molybdate, Water Resour. Res., 31, 347–357, 1995.
Sturman, P.J., P.S. Stewart, A.B. Cunningham, E.J. Bouwer, and J.H. Wolfram, Engineering scale-up of in situ bioremediation processes: a review, J. of Contain. Hydrol., 19, 171–203, 1995
Sykes, J.F., S. Soyupak, and G.J. Farquhar, Modeling of leachate organic migration and attenuation in groundwaters below sanitary landfills, Water Resour. Res., 18(1), 135–145, 1982.
Taylor, S.W., and P.R. Jaffe, Biofilm growth and the related changes in the physical properties of a porous medium 1. Experimental investigation, Water Resour. Res., 26(9) 2153–2159, 1990a.
Taylor, S.W., and P.R. Jaffe, Biofilm growth and the related changes in the physical properties of a porous medium 2. Permeability, Water Resour. Res., 26(9) 2161–2169, 1990b.
Taylor, S.W., and P.R. Jaffe, Biofilm growth and the related changes in the physical properties of a porous medium 3. Dispersivity and model verification, Water Resour. Res., 26(9), 2171–2180, 1990c.
Taylor, S.W., and P.R. Jaffe, Substrate and biomass transport in a porous medium, Water Resour. Res., 26(9), 2181–2194, 1990d.
Valocchi, A.J., R.L. Street, P.V. Roberts, Transport of ion exchanging solutes in groundwater: Chromatographic theory and field simulation, Water Resour. Res., 17, 1517–1527, 1981.
Valocchi, A.J., Validity of the local equilibrium assumption for modeling sorbing solute transport through homogeneous soils, Water Resour. Res., 21, 808–820, 1985.
Valocchi, A.J., Effect of radial flow on deviations from local equilibrium during sorbing solute transport through homogeneous soils, Water Resour. Res., 22, 1693–1701, 1986.
Valocchi, A.J., Theoretical analysis of deviations from local equilibrium during sorbing solute transport through idealized stratified aquifers, J. Contam. Hydrol., 2, 191–207, 1988.
Valocchi, A.J., Spatial moment analysis of the transport of kinetically adsorbing solutes through stratified aquifers, Water Resour. Res., 25, 273–279, 1989.
Valocchi, A.J., and M. Malmstead, Accuracy of operator splitting for advection-dispersion-reaction problems, Water Resour. Res., 28, 1471–1476, 1992.
Vandevivere, P., P. Baveye, D.S. de Lozada, and P. DeLeo, Microbial clogging of saturated soils and aquifer materials: Evaluation of mathematical models, Water Resour. Res., 31(9), 2173–2180, 1995.
VKI, BIODEGRATION, Technical Reference Manual, Vandkvalitetsinstituttet, Hørsholm, 1995.
VKI, GEOCHEMISTRY, Technical Reference Manual, Vandkvalitetsinstituttet, Hørsholm, 1994.
Walsh, M.P, S.L. Bryant, R.S. Schechter, L.W. Lake, Precipitation and dissolution of solids attending flow through porous media, Am. Inst. Chem. Eng. J., 30, 317–328, 1984.
Walter, A.L., E.O. Frind, D.W. Blowes, C.J. Ptacek, and J.W. Molson, Modelling of multicomponent reactive transport in groundwater 1. Model development and evaluation, Water Resour. Res., 30(11), 3137–3148, 1994.
Widdowson, M.A., F.J. Molz, and L.D. Benefield, A numerical transport model for oxygen- and nitratebased respiration linked to substrate and nutrient availability in porous media, Water Resour. Res., 24(9), 1553–1565, 1988.
Wolfsberg, A.V., and D.L. Freyberg, Efficient simulation of single species and multispecies transport in groundwater with local adapative grid refinement, Water Resour. Res., 30(11), 2979–2991, 1994.
Wood, B.D., C.N. Dawson, J.E. Szecsody, and G.P. Streile, Modeling contaminant transport and biodegradation in a layered porous media system, Water Resour. Res., 30(6), 1833–1845, 1994.
Yeh, G.T., and V.S. Tripathi, A critical evaluation of recent developments in hydrogeochemical transport models of reactive multichemical components, Water Resour. Res., 25, 93–108, 1989.
Yeh, G.T., and V.S. Tripathi, A model for simulating transport of reactive multispecies components: Model development and demonstration, Water Resour. Res., 27(12) 3075–3094, 1991.
Zysset, A., F. Stauffer, and T. Dracos, Modeling of chemically reactive groundwater transport, Water Resour. Res., 30(7) 2217–2228, 1994a.
Zysset, A., F. Stauffer, and T. Dracos, Modeling of reactive groundwater transport governed by biodegradation, Water Resour. Res., 30(8) 2423–2434, 1994b.
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Engesgaard, P. (1990). Multi-Species Reactive Transport Modelling. In: Abbott, M.B., Refsgaard, J.C. (eds) Distributed Hydrological Modelling. Water Science and Technology Library, vol 22. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-0257-2_5
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