Modeling of non-isothermal multi-component reactive transport in field scale porous media flow systems

Journal of Hydrology

Volumn 214, Issue 1-4, 1999, Pages 144-164

  Xu, Tianfu ^a   Samper, Javier ^a   Ayora, Carlos ^b   Manzano, Marisol ^c   Custodio, Emilio ^c  

^a UNIVERSITY OF A CORUÑA   (Spain)

^b INSTITUTE OF EARTH SCIENCES JAUME ALMERA   (Spain)

^c UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

Author keywords

Geochemistry; Llobregat delta; Multi component; Non isothermal; Reactive transport; Variably saturated media

Indexed keywords

REACTIVE TRANSPORT; SEQUENTIAL ITERATION APPROACH (SIA); SEQUENTIAL NON-ITERATIVE APPROACH (SNIA); VARIABLY SATURATED MEDIA;

AQUIFERS; FINITE ELEMENT METHOD; FLOW OF WATER; ITERATIVE METHODS; MATHEMATICAL MODELS; POROUS MATERIALS;

HYDROLOGY;

FLOW MODELING; POROUS MEDIUM;

EID: 0032980980     PISSN: 00221694     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-1694(98)00283-2     Document Type: Article

References (39)

1. Atkinson, K., 1989 An Introduction To Numerical Analysis. Wiley, New Jersey, 573 pp.
2. Appelo C.A.J. Cation and proton exchange, pH variations and carbonate reactions in a freshening aquifer. Water Resour. Res. 30:(10):1994;2793-2805.
3. Appelo, C.A.J., Postma, D., 1993 Geochemistry, Groundwater and Pollution. Balkema, Rotterdam, 536 pp.
4. Bear, J., 1979 Hydraulics of Groundwate. McGraw-Hill, New York, 569 pp.
5. Carnahan, C.L., 1990 Coupling of precipitation/dissolution reactions and mass diffusion via porosity changes. In: Melchior, D.C. Bassett, R.L. (Eds.), Chemical Modeling of Aqueous Systems II, American Chemical Society, Washington, DC, pp. 234-242.
6. Cederberg G.A., Street R., Leckie J.O. A groundwater mass transport. equilibrium chemistry model for multicomponent systems. Water Resour. Res. 21:(8):1985;1095-1104.
7. Custodio, E., Bayó, A., Peláez, M.D., 1971 Geoquímica y datación de aguas para el estudio del movimiento de las aguas subterráneas en el delta del Llobregat (Barcelona). In: I Congreso Hispano-Luso-Americano de Geología Económica, Madrid-Lisbon, vol. 1, pp. 51-90. (in Spanish).
8. de Marsily, G., 1986 Quantitative Hydrogeology, Acadamic Press, New York, 440 pp.
9. Engesgaard P., Kipp K.L. A geochemical transport model for redox-controlled movement of mineral fronts in groundwater flow systems: A case of nitrate removal by oxidation of pyrite. Water Resour. Res. 28:(10):1992;2829-2843.
10. Galarza, G.A., 1993. Calibración automática de parámetros en problemas no lineales de flujo y transporte, Ph.D. Dissertation, Universidad politécnica de Cataluña, Barcelona, Spain. (in Spanish).
11. Herzer J., Kinzelbach W. Coupling of transport and chemical processes in numerical transport models. Geoderma. 44:1989;115-127.
12. Iribar, V., Custodio, E., 1992. Advancement of seawater intrusion in the Llobregat delta aquifer, In: Study and Modeling of Saltwater Intrusion, edited by Centro Internacional de Métodos Numéricos en Ingeniería, Barcelona, Spain, pp. 35-50.
13. Jennings A.A., Kirkner D. J., Theis, T.L., Multicomponent equilibrium chemistry in groundwater quality models. Water Resour. Res. 18:(4):1982;1089-1096.
14. Kirkner D.J., Theis T.L., Jennings A.A. Multicomponent solute transport with sorption and soluble complexation. Adv. Water Resour. 7:1984;120-125.
15. Lensing H.J., Vogt M., Herrling B. Modeling of biologically mediated redox processes in the subsurface. J. Hydrol. 159:1994;125-143.
16. Lichtner, P.C., 1996 Continuum formulation of multicomponent-multiphase reactive transport, In: Reactive transport in porous media, Reviews in Mineralogy, vol. 34, Mineralogical Society of America, pp. 1-79.
17. Liu C.W., Narasimhan T.N. Redox-controlled multiple species reactive chemical transport, 1. Model development. Water Resour. Res. 25:(5):1989;869-882.
18. Manzano, M., 1993. Génesis del agua interstical del acuitardo del delta del Llobregat: origen de los solutos y transporte interactivo con el medio sólido, Ph.D. Dissertation, Universidad Politécnica de Cataluña, Barcelona, Spain. (in Spanish).
19. Manzano, M., Custodio, E., 1995. Origen de las aguas salobres en sistemas acuíferos deltaicos: applicacion de la teoría de la cromatografía iónica al acuitardo del delta del Llobregat, Hidrogeología y Recursos Hidráulicos, Madrid, vol. XX, pp. 179-201. (in Spanish).
20. Manzano, M., Custodio, E., 1998. Origen de las aguas salobres en sistemas acuíferos deltaicos: aplicación de la teoría de la-cromatografía iónica al acuitardo del delta del Llobregat, In: IV Congreso Latinoamericano de Hidrología Subterránea, Montevideo (in press). (in Spanish).
21. Miller C.W., Benson L.V. Simulation of solute transport in a chemically reactive heterogeneous system: Model development and application. Water Resour. Res. 19:(2):1983;381-391.
22. Neretnieks I., Yu J.W., Liu J. An efficient time scaling technique for coupled geochemical and transport models. J. Contam. Hydrology. 26:1997;269-277.
23. Nienhuis, P., Appelo, C.A.T, Willemsen, A., 1991. Program PHREEQM: Modified from PHREEQE for use in mixing cell flow tube, Free University, Amsterdam, The Netherlands.
24. Parkhurst, D.L., Thorstenson, D.C., Plummer, L.N., 1980. PHREEQE: A computer program for geochemical calculations, US Geol, Surv. Water Resour. Invest. vols. 80-96, 174 pp.
25. Peláez, M.D., 1983. Hidrodinámica en formaciones semipermeables a partir de la composición química y radioiotôpica del agua intersticial: aplicación a los limos intermedios del delta del Llobregat, Ph.D. Dissertation,Universidad de Barcelona, Barcelona, Spain. (in Spanish).
26. Samper, J., Xu, T., Ayora, C., 1994. Modeling groundwater chemical evolution in a closed-basin evaporitic environment, In: Groundwater Quality Mangement, IAHS Pub. 220, pp. 173-182.
27. Samper, J., Xu, T., Ayora, C., Cuéllar, N., 1995. Reactive solute transport modelling: Numerical formulation and computer codes, Hidrogeología y Recursos Hidráulicos, Madrid, vol. XIX, pp. 785-799.
28. Šim̊nek J., Suarez D.K. Two-dimensional transport model for variably saturated porous media with major ion chemistry. Water Resour. Res. 30:(4):1994;1115-1133.
29. Steefel C.I., Lasaga A.C. A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with applications to reactive flow in single phase hydrothermal system. Am. J. Sci. 294:1994;529-592.
30. Valocchi A.J., Street R.L., Roberts P.V. Transport of ion-exchanging solutes in groundwater: Chromatographic theory and field simulation. Water Resour. Res. 17:(5):1981;1517-1527.
31. Walsh M.P., Bryant S.L., Lake L.W. Precipitation and dissolution of solids attending flow through porous media. AIChEJ. 30:(2):1984;317-328.
32. Walter A.L., Frind E.O., Blowes D.W., Ptacek C.J., Molson J.W. Modeling of multicomponent reactive transport in groundwater, 1, Model development and evaluation. Water Resour. Res. 30:(11):1994;3137-3148.
33. White S.P. Multiphase non-isothermal transport of systems of reacting chemicals. Water Resour. Res. 31:(7):1995;1761-1772.
34. Wolery, T.J., 1992. EQ3/6: A software package for geochemical modeling of aqueous stystems: Package overview and installation guide (version 7.0), Lawrence Livermore National Laboratory, Report UCRL-MA-110662 PT I, California, USA.
35. Xu, T., 1996. Modeling non-isothermal multicomponent reactive solute transport through variably saturated porous media, Ph.D. Dissertation, University of La Coruña, La Coruña, Spain.
36. Xu, T., Ayora, C., Samper, J. 1995. Reactive solute transport modelling: one dimensional examples, Hidrogeología y Recursos Hidráulicos, Madrid, vol. XIX, pp. 801-812.
37. Yeh G.T., Tripathi V.S. A critical evaluation of recent developments of hydrogeochemical transport models of reactive multichemical components. Water Resour. Res. 25:(1):1989;93-108.
38. Yeh G.T., Tripathi V.S. A model for simulating transport of reactive multispecies components: model development and demonstration. Water Resour. Res. 27:(12):1991;3075-3094.
39. Zysset A. Stauffer. F., Dracos, T., Modeling of chemically reactive groundwater transport. Water Resour. Res. 30:(7):1994;2217-2228.