Three-dimensional model for multi-component reactive transport with variable density groundwater flow

Environmental Modelling and Software

Volumn 21, Issue 5, 2006, Pages 615-628

  Mao, X ^a   Prommer, H ^b   Barry, D A ^a   Langevin, C D ^c   Panteleit, B ^d   Li, L ^e,f  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b UTRECHT UNIVERSITY   (Netherlands)

^c U S GEOLOGICAL SURVEY   (United States)

^d Geological Survey for Bremen   (Germany)

^e HOHAI UNIVERSITY   (China)

^f UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Cation exchange; Coastal groundwater flow and chemical transport reaction; Density dependent flow; MODFLOW; MT3DMS; PHREEQC 2; PHWAT; SEAWAT; Seawater intrusion; Snow plough effect

Indexed keywords

COMPUTER SIMULATION; DENSITY OF LIQUIDS; GROUNDWATER GEOCHEMISTRY; ION EXCHANGE; SALT WATER INTRUSION;

CATION EXCHANGE; COASTAL GROUNDWATER FLOW AND CHEMICAL TRANSPORT/REACTION; DENSITY-DEPENDENT FLOW; MODFLOW; MT3DMS; PHREEQC-2; PHWAT; SEAWAT; SNOW-PLOUGH EFFECT;

GROUNDWATER FLOW;

GROUNDWATER FLOW; IGNEOUS INTRUSION; ION EXCHANGE; MODEL; PLUME; RAYLEIGH NUMBER; REACTIVE TRANSPORT; SEAWATER; SIMULATION;

EID: 33645921320     PISSN: 13648152     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.envsoft.2004.11.008     Document Type: Article

References (87)

1. Anderson M.A., and Woessner W.W. Applied groundwater modeling - simulation of flow and advective transport (1992), Academic Press, Inc., San Diego, California, USA
2. Anderson P., Cunningham C.J., and Barry D.A. Gravimetric analysis of organic contamination in railway ballast. Land Contamination and Reclamation 8 2 (2000) 71-74
3. Appelo C.A.J. Cation and proton exchange, pH variations, and carbonate reactions in a freshening aquifer. Water Resources Research 30 10 (1994) 2793-2805
4. Appelo C.A.J., Willemsen A., Beekman H.E., and Griffioen J. Geochemical calculations and observations on salt water intrusions, 2, validation of a geochemical model with column experiments. Journal of Hydrology 120 1-4 (1990) 225-250
5. Babiker I.S., Mohamed A.A.M., Terao H., Kato K., and Ohta K. Assessment of groundwater contamination by nitrate leaching from intensive vegetable cultivation using geographical information system. Environment International 29 8 (2004) 1009-1017
6. Bajracharya K., and Barry D.A. Analysis of one-dimensional multispecies transport experiments in laboratory soil columns. Environment International 21 5 (1995) 687-691
7. Barry D.A. Modelling contaminant transport in the subsurface: theory and computer programs. In: Ghadiri H., and Rose C.W. (Eds). Modelling chemical transport in soil: natural and applied contaminants (1992), Lewis Publishers, Boca Raton, Florida 105-144
8. Barry D.A., Bajracharya K., Crapper M., Prommer H., and Cunningham C.J. Comparison of split-operator methods for solving coupled chemical nonequilibrium reaction/groundwater transport models. Mathematics and Computers in Simulation 53 1-2 (2000) 113-127
9. Barry D.A., Miller C.T., Culligan P.J., and Bajracharya K. Analysis of split operator methods for nonlinear and multispecies groundwater chemical transport models. Mathematics and Computers in Simulation 43 3-6 (1997) 331-341
10. Barry D.A., Prommer H., Miller C.T., Engesgaard P., Brun A., and Zheng C. Modelling the fate of oxidisable organic contaminants in groundwater. Advances in Water Resources 25 8-12 (2002) 945-983
11. Barry D.A., Starr J.L., Parlange J.-Y., and Braddock R.D. Numerical analysis of the snow-plow effect. Soil Science Society of America Journal 47 5 (1983) 862-868
12. Barry D.A., Bajracharya K., and Miller C.T. Alternative split-operator approach for solving chemical reaction/groundwater transport models. Advances in Water Resources 19 5 (1996) 261-275
13. Barry D.A., Miller C.T., and Culligan-Hensley P.J. Temporal discretisation errors in non-iterative split-operator approaches to solving chemical reaction groundwater transport models. Journal of Contaminant Hydrology 22 1-2 (1996) 1-17
14. Bear J. Hydraulics of groundwater (1979), McGraw-Hill, New York, USA
15. Bear J., Cheng A.H.-D., Sorec S., Ouazar D., and Herrera I. Seawater intrusion in coastal aquifers - concepts, methods and practices (1999), Kluwer Academic Publishers, Dordrecht
16. Bridwell, R.J., Travis, B.J., 1995. Numerical simulation of acid mine drainage (AMD) in a fully-coupled 3-D ground water flow and chemical transport model: Part I, field example and validation. In: Proceedings, Conference on Mining and the Environment, Sudbury, Ontario, Canada.
17. Brooks S.C., Taylor D.L., and Jardine P.M. Reactive transport of EDTA-complexed cobalt in the presence of ferrihydrite. Geochimica et Cosmochimica Acta 60 11 (1996) 1899-1908
18. Christensen F.D., Basberg L., and Engesgaard P. Modeling transport and biogeochemical processes in dense landfill leachate plumes. In: Hassanizadeh S.M., Schotting R.J., Gray W.G., and Pinder G.F. (Eds). Computational methods in water resources, proceedings of the XIV international conference on computational methods in water resources (CMWR XIV) (2002), Elsevier, Amsterdam
19. Christensen, F.D., Engesgaard, P., Kipp, K.L., 2001. A reactive transport investigation of seawater intrusion experiment in a shallow aquifer, Skansehage, Denmark. In: Proceedings of the First International Conference on Saltwater Intrusion and Coastal Aquifers, Essaouira, Morocco.
20. Clement T.P., Sun Y., Hooker B.S., and Petersen J.N. Modeling multispecies reactive transport in ground water. Groundwater Monitoring and Remediation 18 2 (1998) 79-92
21. Diersch H.-J.G., and Kolditz O. Variable-density flow and transport in porous media: approaches and challenges. Advances in Water Resources 25 8-12 (2002) 899-944
22. Elder J.W. Steady free convection in a porous medium heated from below. Journal of Fluid Mechanics 27 (1967) 29-48
23. Ergil M.E. The salination problem of the Guzelyurt aquifer, Cyprus. Water Research 34 4 (2000) 1201-1214
24. Filius J.D., Meeussen J.C.L., and van Riemsdijk W.H. Transport of malonate in a goethite-silica sand system. Colloids and Surfaces. A, Physicochemical and Engineering Aspects 151 1-2 (1999) 245-253
25. Freedman V.L., and Ibaraki M. Effects of chemical reactions on density-dependent fluid flow: on the numerical formulation and the development of instabilities. Advances in Water Resources 25 4 (2002) 439-453
26. In: Grasshoff K., Kremling K., and Ehrhardt M. (Eds). Methods of seawater analysis (1999), John Wiley & Sons, London
27. Guo W., and Langevin C.D. User's guide to SEAWAT: a computer program for simulation of three-dimensional variable-density ground-water flow. U.S. geological survey techniques of water-resources investigations (2002) Book 6, USA
28. Herbert A.W., Jackson C.P., and Lever D.A. Coupled groundwater flow and solute transport with fluid density strongly dependent on concentration. Water Resources Research 24 10 (1988) 1781-1795
29. Herzer J., and Kinzelbach W. Coupling of transport and chemical processes in numerical transport models. Geoderma 44 2-3 (1989) 115-127
30. Holt M.S. Sources of chemical contaminants and routes into the freshwater environment. Food and Chemical Toxicology 38 Suppl. (2000) S21-S27
31. Ibaraki M. A robust and efficient numerical model for analyses of density-dependent flow in porous media. Journal of Contaminant Hydrology 34 3 (1998) 235-246
32. Johnson S.J., Barry D.A., Christofi N., and Patel D. Potential for anaerobic biodegradation of linear alkylbenzene cable oils: literature review and preliminary investigation. Land Contamination and Reclamation 9 3 (2001) 279-291
33. Kanney J.F., Miller C.T., and Barry D.A. Comparison of fully coupled approaches for approximating nonlinear transport and reaction problems. Advances in Water Resources 26 4 (2003) 353-372
34. Kanney J.F., Miller C.T., and Kelley C.T. Convergence of iterative split-operator approaches for approximating nonlinear reactive transport problems. Advances in Water Resources 26 3 (2003) 247-261
35. Kipp Jr. K.L. Guide to the revised heat and solute transport simulator: HST3D. Version 2. Water-resources investigations report 97-4157 (1997), U.S. Geological Survey, Colorado, USA
36. Kolditz O., Ratke R., Diersch H.-J., and Zielke W. Coupled groundwater flow and transport: 1. Verification of variable density flow and transport models. Advances in Water Resources 21 1 (1998) 27-46
37. Kooi H., and Groen J. Offshore continuation of coastal groundwater systems: predictions using sharp-interface approximations and variable-density flow modelling. Journal of Hydrology 246 1-4 (2001) 19-35
38. Langwaldt J.H., and Puhakka J.A. On-site biological remediation of contaminated groundwater: a review. Environmental Pollution 107 2 (2000) 187-197
39. Leeming G.J.S., Mayer K.U., and Simpson R.B. Effects of chemical reactions on iterative methods for implicit time stepping. Advances in Water Resources 22 4 (1998) 333-347
40. Lin H.C., Richards D.R., Yeh G.T., Cheng J.R., Cheng H.P., and Jones N.L. FEMWATER: a three-dimensional finite element computer model for simulating density-dependent flow and transport. Technical report HL-96 (1996), US Army Engineer Waterways Experiment Station, USA
41. Mas-Pla J., Montaner J., and Solà J. Groundwater resources and quality variations caused by gravel mining in coastal streams. Journal of Hydrology 216 3-4 (1999) 197-213
42. Mayer, K.U., 1999. A Numerical Model for Multicomponent Reactive Transport in Variably Saturated Porous Media. Ph.D. thesis, Department of Earth Sciences, University of Waterloo, Canada.
43. McDonald M.G., and Harbaugh A.W. A modular three-dimensional finite-difference ground-water flow model (1988), U.S. Geological Survey, USA
44. Meeussen J.C.L., Kleikemper J., Scheidegger A.M., Borkovec M., Paterson E., van Riemsdijk W.H., and Sparks D.L. Multicomponent transport of sulfate in a goethite-silica sand system at variable pH and ionic strength. Environmental Science and Technology 33 19 (1999) 3443-3450
45. Miller C.T., and Rabideau A.J. Development of split-operator, Petrov-Galerkin methods to simulate transport and diffusion-problems. Water Resources Research 29 7 (1993) 2227-2240
46. Monnin C. An ion interaction model for the volumetric properties of natural waters: density of the solution and partial modal volumes of electrolytes to high concentrations at 25°C. Geochimica et Cosmochimica Acta 53 6 (1989) 1177-1188
47. Monnin C. Density calculation and concentration scale conversions for natural waters. Computers and Geosciences 20 10 (1994) 1435-1445
48. Oude Essink G.H.P. Saltwater intrusion in 3D large-scale aquifers: a Dutch case. Physics and Chemistry of the Earth, Part B. Hydrology, Oceans and Atmosphere 26 4 (2001) 337-344
49. Panteleit, B., 2004. Geochemical Processes in the Salt-Freshwater Transition Zone, Reports of the Department of Earth Sciences, University Bremen, Nr. 225: Bremen, Germany.
50. Parkhurst D.L. User's guide to PHREEQC - a computer program for speciation, reaction-path, advective-transport, and inverse geochemical calculations. Investigations Report 95-4227 (1995), U.S. Geological Survey, USA
51. Parkhurst D.L., and Appelo C.A.J. (Version 2). User's guide to PHREEQC - a computer program for speciation, reaction-path, 1D-transport, and inverse geochemical calculations. Technical Report 99-4259 (1999), U.S. Geological Survey, USA
52. Parkhurst, D.L., Engesgaard, P., Kipp, K.L., 1995. Coupling the geochemical model PHREEQC with a 3D multi-component solute transport model, paper presented at Fifth Annual V.M. Goldschmidt Conference. Geochemical Society, Penn State University, University Park, USA.
53. Parkhurst D.L., Thorstenson D.C., and Plummer L.N. PHREEQE - a computer program for geochemical calculations. U.S. Geological Survey Water-Resources Investigations Report 80-96 (1990) USA
54. Pfingsten W. Efficient modeling of reactive transport phenomena by a multispecies random walk coupled to chemical equilibrium. Nuclear Technology 116 2 (1996) 208-221
55. Prommer H., Barry D.A., and Davis G.B. A one-dimensional reactive multi-component transport model for biodegradation of petroleum hydrocarbons in groundwater. Environmental Modelling and Software 14 2-3 (1999) 213-223
56. Prommer H., Barry D.A., and Davis G.B. Numerical modelling for design and evaluation of groundwater remediation schemes. Ecological Modelling 128 2-3 (2000) 181-195
57. Prommer H., Barry D.A., and Davis G.B. Modelling of physical and reactive processes during biodegradation of a hydrocarbon plume under transient groundwater flow conditions. Journal of Contaminant Hydrology 59 1-2 (2002) 113-131
58. Prommer H., Barry D.A., and Zheng C. MODFLOW/MT3DMS-based reactive multicomponent transport modeling. Ground Water 41 2 (2003) 247-257
59. Quinn N.W.T., Brekkeb L.D., Millera N.L., Heinzerc T., Hidalgob H., and Dracup J.A. Model integration for assessing future hydroclimate impacts on water resources, agricultural production and environmental quality in the San Joaquin Basin, California. Environmental Modelling and Software 19 3 (2004) 305-316
60. Saaltink M.W., Carrera J., and Ayora C. On the behavior of approaches to simulate reactive transport. Journal of Contaminant Hydrology 48 3-4 (2001) 213-235
61. Sauter F.J., Leijnse A., and Beusen A.H.W. METROPOL user's guide, Report Number 725205003 (1993), National Institute of Public Health and Environmental Protection, Bilthoven, Netherlands
62. Schincariol R.A., and Schwartz F.W. An experimental investigation of variable density flow and mixing in homogeneous and heterogeneous media. Water Resources Research 26 10 (1990) 2317-2329
63. Schincariol R.A., Schwartz F.W., and Mendoza C.A. On the generation of instabilities in variable density flow. Water Resources Research 30 4 (1994) 913-927
64. Schnoor J.L. Environmental modelling: fate and transport of pollutants in water air and soil (1996), John Wiley & Sons, New York, USA
65. Simmons C.T., Fenstemaker T.R., and Sharp J.M. Variable-density groundwater flow and solute transport in heterogeneous porous media: approaches, resolutions and future challenges. Journal of Contaminant Hydrology 52 1-4 (2001) 245-275
66. Simmons C.T., and Narayan K.A. Mixed convection processes below a saline disposal basin. Journal of Hydrology 194 1-4 (1997) 263-285
67. Simmons C.T., and Narayan K.A. Modelling density-dependent flow and solute transport at the Lake Tutchewop saline disposal complex, Victoria. Journal of Hydrology 206 3-4 (1998) 219-236
68. Simmons C.T., Narayan K.A., and Wooding R.A. On a test case for density-dependent groundwater flow and solute transport models: the salt lake problem. Water Resources Research 35 12 (1999) 3607-3620
69. Simpson M.J., and Clement T.P. Theoretical analysis of the worthiness of Henry and Elder problems as benchmarks of density-dependent groundwater flow models. Advances in Water Resources 26 1 (2003) 17-31
70. Starr J.L., and Parlange J.-Y. Dispersion in soil columns - snow plow effect. Soil Science Society of America Journal 43 3 (1979) 448-450
71. Steefel C.I. GIMRT, version 1.2: software for modeling multicomponent, multidimensional reactive transport. User's guide, UCRL-MA-143182 (2001), Lawrence Livermore National Laboratory, Livermore, California
72. Steefel C.I., and MacQuarrie K.T.B. Approaches to modeling of reactive transport in porous media. In: Lichtner P.C., Steefel C.I., and Oelkers E.H. (Eds). Reviews in mineralogy (1996), Mineralogical Society of America, Washington
73. Steefel C.I., and Yabusaki S.B. OS3D/GIMRT: software for modelling multicomponent-multidimensional reactive transport; user manual and programmer's guide. Technical Report PNL-11166 (1996), Pacific Northwest National Laboratory, Richland, Washington
74. Stumm W., and Morgan J.J. Aquatic chemistry (1996), John Wiley & Sons, New York, USA
75. Trauth R., and Xanthopoulos C. Non-point pollution of groundwater in urban areas. Water Research 31 11 (1997) 2711-2718
76. Valocchi A.J., and Malmstead M. Accuracy of operator splitting for advection-dispersion-reaction problems. Water Resources Research 28 5 (1992) 1471-1476
77. Volker R.E., and Rushton K.R. An assessment of the importance of some parameters for seawater intrusion in aquifers and a comparison of dispersive and sharp-interface modelling approaches. Journal of Hydrology 6 3-4 (1982) 239-250
78. Voss C.I. A finite-element simulation model for saturated-unsaturated, fluid-density-dependent ground-water flow with energy transport or chemically-reactive single-species solute transport (1984), U.S. Geological Survey, USA
79. Walter A.L., Frind E.O., Blowes D.W., Ptacek C.J., and Molson J.W. Modeling of multicomponent reactive transport in groundwater. 1. Model development and evaluation. Water Resources Research 30 11 (1994) 3137-3148
80. Xu T.F., Samper J., Ayora C., Manzano M., and Custodio E. Modeling of non-isothermal multi-component reactive transport in field scale porous media flow systems. Journal of Hydrology 214 1-4 (1999) 144-164
81. Yeh G.T., and Tripathi V.S. A critical evaluation of recent developments of hydrogeochemical transport models of reactive multichemical components. Water Resources Research 25 1 (1989) 93-108
82. Yeh G.T., Salvage K.M., Gwo J.P., Zachara J.M., and Szecsody J.E. HYDROBIOGEOCHEM: a coupled model of HYDROlogic transport and mixed BIOGEOCHEMical kinetic/equilibrium reactions in saturated-unsaturated media (1998), Oak Ridge National Laboratory, Center for Computational Sciences, Oak Ridge, USA
83. Zhang H., and Schwartz F.W. Multispecies contaminant plumes in variable density flow systems. Water Resources Research 31 4 (1995) 837-848
84. Zhang H., Schwartz F.W., Wood W.W., Garabedian S.P., and LeBlanc D.R. Simulation of variable-density flow and transport of reactive and non-reactive solutes during a tracer test at Cape Cod, Massachusetts. Water Resources Research 34 1 (1998) 67-82
85. Zhang Q., Volker R.E., and Lockington D.A. Experimental investigation of contaminant transport in coastal groundwater. Advances in Environmental Research 6 3 (2002) 229-237
86. Zheng C., and Wang P.P. MT3DMS, a modular three-dimensional multi-species transport model for simulation of advection, dispersion and chemical reactions of contaminants in groundwater systems; documentation and user's guide (1999), U.S. Army Engineer Research and Development Center Contract, Vicksburg, USA Report SERDP-99-1
87. Zysset A., Stauffer F., and Dracos T. Modeling of chemically reactive groundwater transport. Water Resources Research 30 7 (1994) 2217-2228