Precipitation, dissolution, and ion exchange processes coupled with a lattice Boltzmann advection diffusion solver

Geochimica et Cosmochimica Acta

Volumn 104, Issue , 2013, Pages 99-110

  Hiorth, A ^a,b   Jettestuen, E ^a   Cathles, L M ^c   Madland, M V ^b  

^a IRIS   (Norway)

^b UNIVERSITY OF STAVANGER   (Norway)

^c Earth and Atmospheric Science ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOLUTION; ION EXCHANGE; MINERAL; POREWATER; PRECIPITATION (CHEMISTRY); REACTION KINETICS; SEAWATER; WATER CHEMISTRY;

EID: 84872033491     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2012.11.019     Document Type: Article

References (56)

1. Appelo C. Cation and proton exchange, pH variations, and carbonate reactions in a freshening aquifer. Water Resour. Res. 1994, 30(10):2793-2805.
2. Arvidson R., Ertan I., Amonette J., Luttge A. Variation in calcite dissolution rates: A fundamental problem?. Geochim. Cosmochim. Acta 2003, 67(9):1623-1634.
3. Bethke C.M. Geochemical Reaction Modeling 1996, Oxford University Press, New York.
4. Borkovec M., Westall J. Solution of the Poisson-Boltzmann equation for surface excesses of ions in the diffuse layer at the oxide-electrolyte interface. J. Electroanal. Chem. 1983, 150:325-337.
5. Bouzidi M., Firdaouss M., Lallemand P. Momentum transfer of a Boltzmann-lattice fluid with boundaries. Phys. Fluids 2001, 13:3452-3459.
6. Cali A., Succi S., Cancelliere A., Benzi R., Gramignani M. Diffusion and hydrodynamic dispersion with the lattice Boltzmann method. Phys. Rev. A 1992, 45(8):5771-5774.
7. Cathles L.M. Eqalt-equilibrium chemical alteration. Combined Physical and Chemical Geofluids Modeling 2006, University of Windsor, Windsor, Ontario.
8. Chen S., Dawson S., Doolen G., Janecky D., Lawniczak A. Lattice methods and their applications to reacting systems. Comput. Chem. Eng. 1995, 19(6-7):617-646.
9. Chen S., Doolen G.D. Lattice Boltzmann method for fluid flows. Annu. Rev. Fluid Mech. 1998, 30:329-364.
10. Davis J.A., Kent D.B. Surface complexation modeling in aqueous geochemistry. Rev. Mineral. 1990, 23:177-260.
11. Dawson S., Chen S., Doolen G. Lattice Boltzmann computations for reaction-diffusion equations. J. Chem. Phys. 1993, 98(2):1514-1523.
12. Evje S. and Hiorth A. (2010) A mathematical model for dynamic wettability alteration controlled by water-rock chemistry. Networks and Heterogeneous Media 5.
13. 2 saturated water flow in 3D realistic geometry: principles and first results. Chem. Geol. 2009, 265(1-2):171-180.
14. Gaines G.L., Thomas H.C. Adsorption studies on clay minerals, ii, a formulation of the thermodynamics of exchange adsorption. J. Chem. Phys. 1953, 21:714-718.
15. He X., Zou Q., Luo L., Dembo M. Analytic solutions of simple flows and analysis of nonslip boundary conditions for the lattice Boltzmann BGK model. J. Stat. Phys. 1997, 87:115-136.
16. Helgeson H., Kirkham D. Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: I. Summary of the thermodynamic/electrostatic properties of the solvent. Am. J. Sci. 1974, 274:1089-1198.
17. Helgeson H., Kirkham D. Theoretical prediction of the thermodynamic behavior of aqueous electrolytes at high pressures and temperatures: II. Debye-huckel parameters for activity coefficients and relative partial molal properties. Am. J. Sci. 1974, 274:1089-1198.
18. Helgeson H., Kirkham D., Flowers G. Theoretical prediction of the thermodynamic behavior of aqueous electrolytes by high pressures and temperatures: IV. Calculation of activity coefficients, osmotic coefficients, and apparent molal and standard and relative partial molal properties to 600°C and 5kb. Am. J. Sci. 1981, 281:1249-1516.
19. Hiorth A., Cathles L.M., Madland M.V. The impact of pore water chemistry on carbonate surface charge and oil wettability. Trans. Porous Media 2010, 85.
20. Israelachivili J. Intermolecular and Surface Forces 1985, Academic Press, New York City.
21. Jerauld G., Lin C., Webb K. and Seccombe J. (2006) Modeling low-salinity waterflooding. In: The 2006 SPE Annual Technical Conf. & Exhib., San Antonio, Texas, USA, 24-27 September, SPE102239.
22. Johnson J.W., Oelkers E.H., Helgeson H. Supcrt92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000°C. Comp. Geol. Sci. 1992, 18(7):899-947.
23. Kang Q.J., Lichtner P.C., Janecky D.R. Lattice boltzmann method for reacting flows in porous media. Adv. Appl. Math. Mech. 2010, 2(5):545-563.
24. 2 sequestration. Trans. Porous Media 2010, 82(1):197-213.
25. Kang Q.J., Lichtner P.C., Zhang D. An an improved lattice Boltzmann model for multicomponent reactive transport in porous media at the pore scale. Water Resour. Res. 2007, 43.
26. Kingdon R., Schofield P. A reaction-flow lattice Boltzmann model. J. Phys. A: Math. General 1992, 25(14):L907-L910.
27. Lallemand P., Luo L. Lattice Boltzmann method for moving boundaries. J. Comp. Phys. 2003, 184:406-421.
28. Lasaga A.C. Kinetic theory in the earth sciences. Princeton series in geochemistry 1998, Princeton University Press.
29. Li L., Steefel C.I., Yang L. Scale dependence of mineral dissolution rates within single pores and fractures. Geochim. Cosmochim. Acta 2008, 72(2):360-377.
30. 2 brines with equal ionic strength. EAGE-2009 2009, A22.
31. Madland M.V., Hiorth A., Omdal E., Megawati M., Hildebrand-Habel T., Korsnes R.I., Evje S., Cathles L.M. Chemical alterations induced by rock-fluid interactions when injecting brines in high porosity chalks. Trans. Porous Media 2011, 87(3):679-702.
32. Molins S., Trebotich D., Steefel C.I., Shen C. An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation. Water Resour. Res. 2012, 48.
33. Morse J.W., Berner R.A. Dissolution kinetics of calcium carbonate in seawater: II. A kinetic origin for lysocline. Am. J. Sci. 1972, 272:840-851.
34. Oelkers E.H., Benezeth P., Pokrovski G.S. Thermodynamic databases for water-rock interaction. Thermodyn. Kinet. Water-Rock Interact. 2009, 70:1-46.
35. Palandri J. L. and Kharaka K. Y. (2004) A compilation of rate parameters of water-mineral interaction kinetics for application to geochemical modeling. Tech. rep., U.S. Geological Survey.
36. Parkhurst D. L. and Appelo C. A. J. (1999) User's guide to phreeqc (version 2) - a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations. U.S. Geol. Survey, Water-Resour. Inv. Rep. 99-4259. .
37. 2. Am. J. Sci. 1978, 278:179-216.
38. Pokrovsky O., Schott J. Processes at the magnesium-bearing carbonates/solution interface: II. Kinetics and mechanism of magnesite dissolution. Geochim. Cosmochim. Acta 1999, 63(6):881-897.
39. Pokrovsky O., Schott J. Kinetics and mechanism of dolomite dissolution in neutral to alkaline soloutions revisited. Am. J. Sci. 2001, 301:597-626.
40. Pokrovsky O., Schott J. Surface chemistry and dissolution kinetics of divalent metal carbonates. Environ. Sci. Technol. 2002, 36:426-432.
41. Pokrovsky O., Schott J., Thomas F. Dolomite surface speciation and reactivity in aquatic systems. Geochim. Cosmochim. Acta 1999, 63(19/20):3133-3143.
42. Pokrovsky O., Schott J., Thomas F. Processes at the magnesium-bearing carbonates/solution interface: I. A surface speciation model for magnesite. Geochim. Cosmochim. Acta 1999, 63(6):863-880.
43. Saldi G.M., Jordan G., Schott J., Oelkers E.H. Magnesite growth rates as a function of temperature and saturation state. Geochim. Cosmochim. Acta 2009, 73:5646-5657.
44. Steefel C.I., MacQuarrie Approaches to modelling of reactive transport in porous media. Reactive Transport in Porous Media 1996, vol. 34. Mineralogical Society of America.
45. Steefel C.J., Van Cappelen P. A new kinetic approach to modeling water-rock interaction: the role of nucleation, precursors, and ostwald ripening. Geochim. Cosmochim. Acta 1990, 54:2657-2677.
46. Succi S. The Lattice Boltzmann Equation, for Fluid Dynamics and Beyond 2001, Oxford University Press.
47. Sukop M.C., Thorne D.T. Lattice Boltzmann Modelling: An Introduction for Geoscientists and Engineers 2006, Springer.
48. Tang G., Morrow N.R. Oil recovery by waterflooding and imbibition - invading brine cation valency and salinity. SCA 1999, 11.
49. Van Cappelen P., Charlet L., Stumm W., Wersin P. A surface complexation model of the carbonate mineral-aqueous solution interface. Geochim. Cosmochim. Acta 1993, 57:3505-3518.
50. Verhaeghe F., Arnout S., Blanpain B., Wollants P. Lattice-Boltzmann modeling of dissolution phenomena. Phys. Rev. E 2006, 73:1-10.
51. Wagner R., Kühn M., Meyn V., Pape H., Vath U., Clauser C. Numerical simulation of pore space clogging in geothermal reservoirs by precipitation of anhydrite. Int. J. Rock Mech. Mining Sci. 2005, 42:1070-1081.
52. Wolf-Gladrow D. A lattice Boltzmann-equation for diffusion. J. Stat. Phys. 1995, 79(5-6):1023-1032.
53. Yildiz H.O., Morrow N.R. Effect of brine composition on recovery of moutray crude oil by waterflooding. J. Pet. Sci. Eng. 1996, 14:159-168.
54. Yoon H., Valocchi A.J., Werth C.J., Dewers T. Pore-scale simulation of mixing-induced calcium carbonate precipitation and dissolution in a microfluidic pore network. Water Resour. Res. 2012, 48.
55. 2-. Colloid. Surf. A: Physicochem. Eng. Aspects 2007, 301(1-3):199-208.
56. Ziegler D. Boundary conditions for lattice Boltzmann simulations. J. Stat. Phys. 1993, 71:1171-1177.