Micro-continuum approaches for modeling pore-scale geochemical processes

Reviews in Mineralogy and Geochemistry

Volumn 80, Issue 1, 2015, Pages 217-246

  Steefel, Carl I ^a   Beckingham, Lauren E ^a   Landrot, Gautier ^b  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b SYNCHROTRON SOLEIL   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84948651403     PISSN: 15296466     EISSN: None     Source Type: Book Series    
DOI: 10.2138/rmg.2015.80.07     Document Type: Article

References (100)

1. 2 and brine. Appl Geochem 26:1975-1989
2. Algive L, Bekri S, Nader FH, Lerat O, Vizika O (2012) Impact of diagenetic alterations on the petrophysical and multiphase flow properties of carbonate rocks using a reactive pore network modeling approach. Oil Gas Sci Technol 67:147-160
3. Anovitz LM, Cole DR (2015) Analysis of porosity and pore structures. Rev Mineral Geochem 80:61-164
4. Aradóttir E S P, Sigfússon B, Sonnenthal EL, Björnsson G, Jónsson H (2013) Dynamics of basaltic glass dissolution-Capturing microscopic effects in continuum scale models. Geochim Cosmochim Acta 121:311-327
5. Arora B, Mohanty BP, McGuire JT (2011) Inverse estimation of parameters for multidomain flow models in soil columns with different macropore densities. Water Resour Res 47:W04512, doi:10.1029/2010WR009451
6. Baldwin CA, Sederman AJ, Mantle MD, Alexander P, Gladden LF (1996) Determination and characterization of the structure of a pore space from 3D volume images. J Colloid Interface Sci 181:79-92
7. Barenblatt GI, Zheltov IP, Kochina IN (1960) Basic concepts in the theory of seepage of homogeneous liquids in fissured rocks [strata]. J Appl Math Mech 24:1286-1303
8. Beckingham LE, Peters CA, Um W, Jones KW, Lindquist WB (2013) 2D and 3D imaging resolution trade-offs in quantifying pore throats for prediction of permeability. Adv Water Resour 62:1-12
9. Beig MS, Lüttge A (2006) Albite dissolution kinetics as a function of distance from equilibrium: Implications for natural feldspar weathering. Geochim Cosmochim Acta 70:1402-1420
10. Berkowitz B, Balberg I (1992) Percolation approach to the problem of hydraulic conductivity in porous media. Transp Porous Media (Historical Archive) 9:275-286
11. Beucher S, Lantuéjoul C (1979) Use of watersheds in contour detection. In: International workshop on image processing, Real-time edge and motion detection/estimation, Rennes, France, September 1979, p. 2.1-2.12
12. Bhattad P, Willson CS, Thompson KE (2011) Effect of network structure on characterization and flow modeling using X-ray micro-tomography images of granular and fibrous porous media. Transp Porous Media 90:363-391
13. Blunt MJ, Bijeljic B, Dong H, Gharbi O, Iglauer S, Mostaghimi P, Paluszny A, Pentland C (2013) Pore-scale imaging and modelling. Adv Water Resour 51:197-216
14. Bolourinejad P, Omrani PS, Herber R (2014) Effect of reactive surface area of minerals on mineralization and carbon dioxide trapping in a depleted gas reservoir. Int J Greenhouse Gas Control 21:11-22
15. Bourg IC, Steefel CI (2012) Molecular dynamics simulations of water structure and diffusion in silica nanopores. J Phys Chem C 116:11556-11564
16. Bracco JN, Stack AG, Steefel CI (2013) Upscaling calcite growth rates from the mesoscale to the macroscale. Environ Sci Technol 47:7555-7562
17. Brunauer S, Emmett PH, Teller E (1938) Adsorption of gases in multimolecular layers. J Am Chem Soc 60:309-319
18. Carman PC (1939) Permeability of saturated sands, soils and clays. J Agric Sci 29:262-273
19. Caubit C, Hamon G, Sheppard AP, Oren PE (2009) Evaluation of the reliability of prediction of petrophysical data through imagery and pore network modelling. Petrophys 50:322
20. Cnudde V, Boone MN (2013) High-resolution X-ray computed tomography in geosciences: a review of the current technology and applications. Earth-Sci Rev 123:1-17
21. Crandell LE, Peters CA, Um W, Jones KW, Lindquist WB (2012) Changes in the pore network structure of Hanford sediment after reaction with caustic tank wastes. J Contam Hydrol 131:89-99
22. Curtis JE, Nanda H, Khodadadi S, Cicerone M, Lee HJ, McAuley A, Krueger S (2012) Small-angle neutron scattering study of protein crowding in liquid and solid phases: Lysozyme in aqueous solution, frozen solution, and carbohydrate powders. J Phys Chem B 116:9653-9667
23. Defrise M, Noo F, Clackdoyle R, Kudo H (2006) Truncated Hilbert transform and image reconstruction from limited tomographic data. Inverse Prob 22:1037
24. Dewers T, Ortoleva P (1990) A coupled reaction/transport/mechanical model for intergranular pressure solution, stylolites, and differential compaction and cementation in clean sandstones. Geochim Cosmochim Acta 54:1609-1625
25. Dilks A, Graham SC (1985) Quantitative mineralogical characterization of sandstones by back-scattered electron image analysis. J Sediment Res 55:347-355
26. Dong H, Blunt MJ (2009) Pore-network extraction from micro-computerized-tomography images. Phys Rev E 80:036307
27. Doremus RH (1975) Interdiffusion of hydrogen and alkali ions in a glass surface. J Non-Cryst Solids 19:137-144
28. Echlin P (2011) Handbook of Sample Preparation for Scanning Electron Microscopy and X-ray Microanalysis. Springer Science & Business Media
29. Frugier P, Gin S, Minet Y, Chave T, Bonin B, Godon N, Lartigue J-E, Jollivet P, Ayral A, De Windt L (2008) SON68 nuclear glass dissolution kinetics: Current state of knowledge and basis of the new GRAAL model. J Nucl Mater 380:8-21
30. Geisler T, Janssen A, Scheiter D, Stephan T, Berndt J, Putnis A (2010) Aqueous corrosion of borosilicate glass under acidic conditions: a new corrosion mechanism. J Non-Cryst Solids 356:1458-1465
31. Gin S, Ryan JV, Schreiber DK, Neeway J, Cabié M (2013a) Contribution of atom-probe tomography to a better understanding of glass alteration mechanisms: Application to a nuclear glass specimen altered 25 years in a granitic environment. Chem Geol 349:99-109
32. Gin S, Abdelouas A, Criscenti LJ, Ebert WL, Ferrand K, Geisler T, Harrison MT, Inagaki Y, Mitsui S, Mueller KT (2013b) An international initiative on long-term behavior of high-level nuclear waste glass. Mater Today 16:243-248
33. Gin S, Jollivet P, Fournier M, Angeli F, Frugier P, Charpentier T (2015) Origin and consequences of silicate glass passivation by surface layers. Nat Commun 6:6360, doi:10.1038/ncomms7360
34. Glassley WE, Simmons AM, Kercher JR (2002) Mineralogical heterogeneity in fractured, porous media and its representation in reactive transport models. Appl Geochem 17:699-708
35. Grambow B (2006) Nuclear waste glasses-How durable? Elements 2:357-364
36. Guittonneau C, Gin S, Godon N, Mestre JP, Dugne O, Allegri P (2011) A 25-year laboratory experiment on French SON68 nuclear glass leached in a granitic environment-First investigations. J Nucl Mater 408:73-89
37. Hellmann R (1997) The albite-water system: Part IV. Diffusion modeling of leached and hydrogen-enriched layers. Geochim Cosmochim Acta 61:1595-1611
38. Hellmann R, Wirth R, Daval D, Barnes J, Penisson J, Tisserand D, Epicier T, Florin B, Hervig RL (2012) Unifying natural and laboratory chemical weathering with interfacial dissolution-reprecipitation: a study based on the nanometer-scale chemistry of fluid-silicate interfaces. Chem Geol 294:203-216
39. Hellmann R, Cotte S, Cadel E, Malladi S, Karlsson LS, Lozano-Perez S, Cabié M, Seyeux A (2015) Nanometrescale evidence for interfacial dissolution-reprecipitation control of silicate glass corrosion. Nat Mater 14:307-311
40. Iassonov P, Gebrenegus T, Tuller M (2009) Segmentation of X-ray computed tomography images of porous materials: A crucial step for characterization and quantitative analysis of pore structures. Water Resour Res 45:W09415
41. Ketcham RA, Carlson WD (2001) Acquisition, optimization and interpretation of X-ray computed tomographic imagery: applications to the geosciences. Comput Geosci 27:381-400
42. Korzhinskii DS (1959) Physicochemical basis of the analysis of the paragenesis of minerals (Fiziko-khimicheskie osnovy analiza paragenezisov mineralov). Consultants Bureau, New York
43. Kozeny J, Striedieck WF, Wyllie M R J (1927) Concerning Capillary Conduction of Water in the Soil: (Rise, Seepage and Use in Irrigation). Petroleum Branch of the American Institute of Mining and Metallurgical Engineers
44. Krinsley DH, Pye K, Tovey KK (2005) Backscattered Electron Microscoy and Image Analysis of Sediments and Sedimentary Rocks. Cambridge University Press
45. 2 mineralization. Chem Geol 318-319:113-125
46. Li L, Peters CA, Celia MA (2006) Upscaling geochemical reaction rates using pore-scale network modeling. Adv Water Resour 29:1351-1370
47. Li L, Steefel CI, Yang L (2008) Scale dependence of mineral dissolution rates within single pores and fractures. Geochim Cosmochim Acta 72:99-116
48. Lichtner PC (2000) Critique of dual continuum formulations of multicomponent reactive transport in fractured porous media. Dyn Fluids Fract Rock: 281-298
49. Lichtner PC, Oelkers EH, Helgeson HC (1986) Interdiffusion with multiple precipitation/dissolution reactions: Transient model and the steady-state limit. Geochim Cosmochim Acta 50:1951-1966
50. Lindquist WB, Lee S, Coker DA, Jones KW, Spanne P (1996) Medial axis analysis of void structure in three-dimensional tomographic images of porous media. J Geophys Res: Solid Earth 101:8297-8310
51. Lorensen WE, Cline HE (1987) Marching cubes: A high resolution 3D surface construction algorithm. Comput Graphics 21:163-169
52. 2 sequestration site, Mississippi, USA. Chem Geol 291:269-277
53. MacQuarrie K T B, Mayer KU (2005) Reactive transport modeling in fractured rock: A state-of-the-science review. Earth-Sci Rev 72:189-227
54. Maher K, Steefel CI, DePaolo DJ, Viani BE (2006) The mineral dissolution rate conundrum: Insights from reactive transport modeling of U isotopes and pore fluid chemistry in marine sediments. Geochim Cosmochim Acta 70:337-363
55. Maher K, Steefel CI, White AF, Stonestrom DA (2009) The role of reaction affinity and secondary minerals in regulating chemical weathering rates at the Santa Cruz Soil Chronosequence, California. Geochim Cosmochim Acta 73:2804-2831, doi:10.1016/j.gca.2009.01.030
56. Malmström ME, Destouni G, Banwart SA, Strömberg BH (2000) Resolving the scale-dependence of mineral weathering rates. Environ Sci Technol 34:1375-1378
57. Mehmani Y, Balhoff MT (2015) Mesoscale and hybrid models of fluid flow and solute transport. Rev Mineral Geochem 80:433-460
58. Mokso R, Quaroni L, Marone F, Irvine S, Vila-Comamala J, Blanke A, Stampanoni M (2012) X-ray mosaic nanotomography of large microorganisms. J Struct Biol 177:233-238
59. Molins S (2015) Reactive interfaces in direct numerical simulation of pore scale processes. Rev Mineral Geochem 80:461-481
60. Molins S, Trebotich D, Steefel CI, Shen C (2012) An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation. Water Resour Res 48:W03527, doi:10.1029/2011WR011404
61. Molins S, Trebotich D, Yang L, Ajo-Franklin JB, Ligocki TJ, Shen C, Steefel CI (2014) Pore-scale controls on calcite dissolution rates from flow-through laboratory and numerical experiments. Environ Sci Technol 48:7453-7460
62. Mutina A, Koroteev D (2012) Using X-Ray Microtomography for the Three Dimensional Mapping of Minerals. Microscopy and Analysis (EU). Microsc Anal 39:7-12
63. Navarre-Sitchler A, Steefel CI, Yang L, Tomutsa L, Brantley SL (2009) Evolution of porosity and diffusivity associated with chemical weathering of a basalt clast. J Geophys Res 114:2156-2202, doi:10.1029/2008JF001060.
64. Navarre-Sitchler A, Steefel CI, Sak PB, Brantley SL (2011) A reactive-transport model for weathering rind formation on basalt. Geochim Cosmochim Acta 75:7644-7667
65. Navarre-Sitchler A, Brantley S, Rother G (2015) How porosity increases during incipient weathering of crystalline silicate rocks. Rev Mineral Geochem 80:331-354
66. Noiriel C (2015) Resolving time-dependent evolution of pore-scale structure, permeability and reactivity using X-ray microtomography. Rev Mineral Geochem 80:247-285
67. Noiriel C, Steefel CI, Yang L, Ajo-Franklin J (2012) Upscaling calcium carbonate precipitation rates from pore to continuum scale. Chem Geol 318:60-74
68. Okabe H, Blunt MJ (2004) Prediction of permeability for porous media reconstructed using multiple-point statistics. Phys Rev E 70:066135
69. Oostrom M, Mehmani Y, Romero-Gomez P, Tang Y, Liu H, Yoon H, Kang Q, Joekar-Niasar V, Balhoff MT, Dewers T (2014) Pore-scale and continuum simulations of solute transport micromodel benchmark experiments. Comput Geosci: 1-23
70. Peters CA (2009) Accessibilities of reactive minerals in consolidated sedimentary rock: An imaging study of three sandstones. Chem Geol 265:198-208
71. Porter ML, Wildenschild D (2010) Image analysis algorithms for estimating porous media multiphase flow variables from computed microtomography data: a validation study. Comput Geosci 14:15-30
72. Pruess K, Narisimhan TN (1985) A practical method for modeling fluid and heat flow in fractured porous media. SPEJ 25:14-26
73. Sezgin M, Sankur B (2004) Survey over image thresholding techniques and quantitative performance evaluation. J Electron Imaging 13:146-165
74. Silin DB, Patzek TW (2003) Object-oriented cluster search for an arbitrary pore network. Technical Report LBNL-51599, Lawrence Berkeley National Laboratory, Berkeley, California (January 2003)
75. Šimůnek J, Jarvis NJ, Van Genuchten MT, Gärdenäs A (2003) Review and comparison of models for describing non-equilibrium and preferential flow and transport in the vadose zone. J Hydrol 272:14-35
76. Sok RM, Varslot T, Ghous A, Latham S, Sheppard AP, Knackstedt MA (2010) Pore scale characterization of carbonates at multiple scales: Integration of micro-CT, BSEM, FIBSEM. Petrophys 51:379
77. Sonnenthal EL, Ortoleva PJ (1994) Numerical simulations of overpressured compartments in sedimentary basins. In: Basin Compartments and Seals, Am Assoc Pet Geol Memoir 61:403-416
78. Steefel CI, Lasaga AC (1990) The evolution of dissolution patterns: Permeability change due to coupled flow and reaction. In: Chemical Modeling of Aqueous Systems II. Vol 416. Melchior D, Bassett RL (eds) American Chemical Society, Washington, p 212-225
79. Steefel CI, Lasaga AC (1994) A coupled model for transport of multiple chemical species and kinetic precipitation/dissolution reactions with application to reactive flow in single phase hydrothermal systems. Am J Sci 294:529-592
80. Steefel CI, Lichtner PC (1994) Diffusion and reaction in rock matrix bordering a hyperalkaline fluid-filled fracture. Geochim Cosmochim Acta 58:3595-3612
81. Steefel CI, DePaolo DJ, Lichtner PC (2005) Reactive transport modeling: An essential tool and a new research approach for the Earth Sciences. Earth Planet Sci Lett 240:539-558
82. 2 injection and sequestration. Rev Mineral Geochem 77:259-303
83. Steefel CI, Appelo C A J, Arora B, Jacques D, Kalbacher T, Kolditz O, Lagneau V, Lichtner PC, Mayer KU, Meeussen J C L, Molins S, Moulton D, Shao H, Šimůnek J, Spycher N, Yabusaki SB, Yeh GT (2015) Reactive transport codes for subsurface environmental simulation. Comput Geosci: 1-34, doi:10.1007/s10596-014-9443-x
84. - and HTO in compacted sodium montmorillonite as a function of porewater salinity: Integrated sorption and diffusion model. Geochim CosmochimActa 132:75-93
85. Thompson JB (1959) Local equilibrium in metasomatic processes. Res Geochem 1:427-457
86. Trebotich D, Graves DT (2015) An adaptive finite volume method for the incompressible Navier-Stokes equations in complex geometries Comm Appl Math Comput Sci 10:43-82
87. Wang H (1993) A double medium model for diffusion in fluid-bearing rock. Contrib Mineral Petrol 11:357-364
88. Wanner C, Sonnenthal EL (2013) Assessing the control on the effective kinetic Cr isotope fractionation factor: a reactive transport modeling approach. Chem Geol 337:88-98
89. Warren JE, Root PJ (1963) The behavior of naturally fractured reservoirs. SPE J 3:245-255. SPE-426-PA, http://dx.doi.org/10.2118/426-PA
90. Weare JH, Stephens JR, Eugster HP (1976) Diffusion metasomatism and mineral reaction zones; general principles and application to feldspar alteration. Am J Sci 276:767-816
91. Weibel ER (1979) Practical Methods for Biological Morphometry. Academic Press
92. White AF, Brantley SL (2003) The effect of time on the weathering of silicate minerals: why do weathering rates differ in the laboratory and field? Chem Geol 202:479-506
93. White AF, Schulz MS, Vivit DV, Blum AE, Stonestrom DA, Harden JW (2005) Chemical weathering rates of a soil chronosequence on granitic alluvium: III. Hydrochemical evolution and contemporary solute fluxes and rates. Geochim Cosmochim Acta 69:1975-1996
94. Wildenschild D, Sheppard AP (2013) X-ray imaging and analysis techniques for quantifying pore-scale structure and processes in subsurface porous medium systems. Adv Water Resour 51:217-246
95. Wu Y (2000) On the effective continuum method for modeling multiphase flow, multicomponent transport, and heat transfer in fractured rock. Dyn Fluids Fract Rock: 299-312
96. Xie M, Mayer KU, Claret F, Alt-Epping P, Jacques D, Steefel C, Chiaberge C, Simunek J (2015) Implementation and evaluation of permeability-porosity and tortuosity-porosity relationships linked to mineral dissolution-precipitation. Comput Geosci, doi:10.1007/s10596-014-9458-3
97. Xu T (2008) Incorporating aqueous reaction kinetics and biodegradation into TOUGHREACT: applying a multiregion model to hydrobiogeochemical transport of denitrification and sulfate reduction. Vadose Zone J 7:305-315
98. Yoon H, Kang Q, Valocchi A (2015) Lattice Boltzmann-based approaches for pore-scale reactive transport. Rev Mineral Geochem 80:393-432
99. 2 trapped through mineral precipitation in the Rose Run Sandstone, Ohio. Appl Geochem 21:223-240
100. Zhu C, Blum AE, Veblen D (2004) Feldspar dissolution rates and clay precipitation in the Navajo aquifer at Black Mesa, Arizona, USA. In: Proceedings of the Eleventh International Symposium on Water-Rock Interaction WRI-11, Vol. 2. RB Wanty RRI Seal (eds), 27 June-2 July, 2004, Saratoga Springs, New York, A. A. Balkema, p 895-899