A robust model for pore-water chemistry of clayrock

Geochimica et Cosmochimica Acta

Volumn 73, Issue 21, 2009, Pages 6470-6487

  Gaucher, E C ^a   Tournassat, C ^a   Pearson, F J ^b   Blanc, P ^a   Crouzet, C ^a   Lerouge, C ^a   Altmann, S ^c  

^a BRGM   (France)

^b Ground Water Geochemistry   (United States)

^c ANDRA   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ANALYSIS; CHEMICAL COMPOSITION; CLAY; DISSOLUTION; GEOCHEMISTRY; ION EXCHANGE; LABORATORY METHOD; MINERALOGY; OXFORDIAN; OXIDATION; POREWATER; RADIOACTIVE WASTE;

EID: 70349246827     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2009.07.021     Document Type: Article

References (79)

1. Altmann S. 'Geo'chemical research: a key building block for nuclear waste disposal safety cases. J. Contam. Hydrol. 102 (2008) 174-179
2. Appelo C.A.J., Willemsen A., Beekman H.E., and Griffioen J. Geochemical calculations and observations on salt water intrusions. II. Validation of a geochemical model with laboratory experiments. J. Hydr. 120 (1990) 225-250
3. Appelo C.A.J., Verweij E., and Schäfer H. A hydrogeochemical transport model for an oxidation experiment with pyrite/calcite/exchangers/organic matter containing sand. Appl. Geochem. 13 (1998) 257-268
4. Appelo C.A.J. Comment on "Sulfate transport in a coastal plain confining unit, New Jersey, USA" (Pucci 1999). Hydrogeol. J. 8 (2000) 455-456
5. Appelo C.A.J., and Wersin P. Multicomponent diffusion modeling in clay systems with application to the diffusion of tritium, iodide, and sodium in Opalinus clay. Environ. Sci. Technol. 41 (2007) 5002-5007
6. Appelo C.A.J., Vinsot A., Mettler S., and Wechner S. Obtaining the porewater composition of a clay rock by modeling the in- and out-diffusion of anions and cations from an in-situ experiment. J. Contam. Hydrol. 101 (2008) 67-76
7. Bath A.H., Pearson F.J., Gautschi A., and Waber H.N. Water-rock interactions in mudrocks and similar low permeability material. Proc. 10th Int. Symp. on Water-Rock Interaction, Villasimius, Sardinia (2001), A.A. Balkema, Rotterdam 3-12
8. Bazer-Bachi F., Descostes M., Tevissen E., Meier P., Grenut B., Simonnot M.O., and Sardin M. Characterization of sulphate sorption on Callovo-Oxfordian argillites by batch, column and through-diffusion experiments. Phys. Chem. Earth. 32 (2007) 552-558
9. Beaucaire C., Pitsch H., Toulhoat P., Motellier S., and Louvat D. Regional fluid characterisation and modelling of water-rock equilibria in the Boom clay Formation and in the Rupelian aquifer at Mol. Belg. Appl. Geochem. 15 (2000) 667-686
10. Beaucaire C., Michelot J.L., Savoye S., and Cabrera J. Groundwater characterisation and modelling of water-rock interaction in an argillaceous formation (Tournemire, France). Appl. Geochem. 23 (2008) 2182-2197
11. Blanc P., Ignatiadis I., Lassin A. and Burnol A. (2006a) Thermochimie: sélection de constantes thermodynamiques pour le chrome, le cobalt et le strontium. Report BRGM RP-55083-FR.
12. Blanc P., Piantone P., Lassin A. and Burnol A. (2006b) Thermochimie: sélection de constantes thermodynamiques pour les éléments majeurs, le plomb et le cadmium. Report ANDRA C.RP.PSTR.07.0014 or BRGM RP-54902-FR.
13. Blanc P. and Gailhanou H. (2007) Thermochimie: estimation des entropies, capacités calorifiques et volumes molaires des phyllosilicates déshydratés et hydratés. Report BRGM/RP-55966-FR.
14. Bradbury M.H., and Baeyens B. A physicochemical characterisation and geochemical modelling approach for determining porewater chemistries in argillaceous rocks. Geochim. Cosmochim. Acta 62 (1998) 783-795
15. Bradbury M.H., and Baeyens B. Modelling the sorption of Mn(II), Co(II), Ni(II), Zn(II), Cd(II), Eu(III), Am(III), Sn(IV), Th(IV), Np(V) and U(VI) on montmorillonite: linear free energy relationships and estimates of surface binding constants for some selected heavy metals and actinides. Geochim. Cosmochim. Acta 69 (2005) 875-892
16. Bruno J., Duro L., and Grive M. The applicability and limitations of thermodynamic geochemical models to simulate trace element behaviour in natural waters. Lessons learned from natural analogue studies. Chem. Geol. 190 (2002) 371-393
17. Buschaert S., Giannesini S., Lavastre V., Benedetti F., Gaucher E.C., Lacroix M., Lavielle B., Michelot J.-L., France-Lanord C., Bourles D., Lancelot J., Benabderrahmane H., Dewonck S., and Vinsot A. The contribution of water geochemistry to the understanding of the regional hydrogeological system. Mém. Soc. Géol. Fr. 178 (2007) 91-114
18. Chapman N., and Mckinley I.G. The Geological Disposal of Nuclear Waste (1987), John Wiley & Sons, Chichester, UK
19. Charlet L., Scheinost A.C., Tournassat C., Greneche J.M., Gehin A., Fernandez-Martinez A., Coudert S., Tisserand D., and Brendle J. Electron transfer at the mineral/water interface: selenium reduction by ferrous iron sorbed on clay. Geochim. Cosmochim. Acta 71 (2007) 5731-5749
20. Charpentier D., Mosser-Ruck R., Cathelineau M., and Guillaume D. Oxidation of mudstone in a tunnel (Tournemire, France): consequences for the mineralogy and crystal chemistry of clay minerals. Clay Miner. 39 (2004) 135-149
21. Ciesielski H., and Sterckeman T. Determination of cation exchange capacity and exchangeable cations in soils by means of cobalt hexamine trichloride. Effects of experimental conditions. Agronomie 17 (1997) 1-7
22. Claret F., Sakharov B.A., Drits V.A., Velde B., Meunier A., Griffault L., and Lanson B. Clay minerals in the Meuse-Haute Marne underground laboratory (France): possible influence of organic matter on clay mineral evolution. Clays Clay Miner. 52 (2004) 515-532
23. Coudrain-Ribstein A., and Gouze P. Quantitative study of geochemical processes in the Dogger aquifer, Paris Basin. Fr. Appl. Geochem. 8 (1993) 495-506
24. Coudrain-Ribstein A., Gouze P., and De Marsily G. Temperature-carbon dioxide partial pressure trends in confined aquifers. Chem. Geol. 145 (1998) 73-89
25. De Craen M., Van Geet M., Wang L., and Put M. High sulphate concentrations in squeezed Boom Clay pore water: evidence of oxidation of clay cores. Phys. Chem. Earth 29 (2004) 91-103
26. Delay J., Vinsot A., Krieguer J.-M., Rebours H., and Armand G. Making of the underground scientific experimental programme at the Meuse/Haute-Marne underground research laboratory, North Eastern France. Phys. Chem. Earth 32 (2007) 2-18
27. Descostes M., Blin V., Bazer-Bachi F., Meier P., Grenut B., Radwan J., Schlegel M.L., Buschaert S., Coelho D., and Tevissen E. Diffusion of anionic species in Callovo-Oxfordian argillites and Oxfordian limestones (Meuse/Haute-Marne, France). Appl. Geochem. 23 (2008) 655-677
28. Dove P.M., and Czank C.A. Crystal chemical controls on the dissolution kinetics of the isostructural sulfates: celestite, anglesite, and barite. Geochim. Cosmochim. Acta 59 (1995) 1907-1915
29. Fernández A. M., Turrero M. J. and Rivas P. (2001) Analysis of squeezed pore water as a function of the applied pressure in Opalinus Clay material (Switzerland). In Proc. 10th Int.Symp. on Water-Rock Interaction, Villasimius, Sardinia. A.A. Balkema, Rotterdam, pp. 1323-1326.
30. Fernández A. M., Bath A., Waber H. N. and Oyama T. (2003) Water sampling by squeezing drillcores. Annex 2 in Geochemistry of Water in the Opalinus Clay Formation at the Mont Terri Rock Laboratory (eds. F. J. Pearson et al.). Geology Series No. 5. Swiss Federal Office for Water and Geology, pp. 319.
31. Gailhanou H. and Blanc P. (2007) Thermochimie: acquisition des propriétés thermodynamiques sur une saponite et révision des données sur les minéraux argileux. Report BRGM/RP-55925-FR.
32. Gailhanou H., Van Miltenburg J.C., Rogez J., Olives J., Amouric M., Gaucher E.C., and Blanc P. Thermodynamic properties of anhydrous smectite MX-80, illite IMt-2 and mixed-layer illite-smectite ISCz-1 as determined by calorimetric methods. Part I: heat capacities, heat contents and entropies. Geochim. Cosmochim. Acta 71 (2007) 5463-5473
33. Gailhanou H., Van Miltenburg J.C., Van Genderen A., Rogez J., Greneche J.M., Gilles C., Gaucher E.C., and Blanc P. Thermodynamic properties of ripidolite CCa-2. Part I. He at capacities, he at contents and entropies. Geochim. Cosmochim. Acta 73 (2009) 4738-4749
34. Gaines G.L., and Thomas H.C. Adsorption studies on clay minerals. II. A formulation of the thermodynamics of exchange adsorption. J. Chem. Phys. 21 (1953) 714-718
35. Gaucher E., Robelin C., Matray J.M., Negrel G., Gros Y., Heitz J.F., Vinsot A., Rebours H., Cassabagnere A., and Bouchet A. ANDRA underground research laboratory: interpretation of the mineralogical and geochemical data acquired in the Callovian-Oxfordian Formation by investigative drilling. Phys. Chem. Earth 29 (2004) 55-77
36. Gaucher E.C., Blanc P., Bardot F., Braibant G., Buschaert S., Crouzet C., Gautier A., Girard J.-P., Jacquot E., Lassin A., Negrel G., Tournassat C., Vinsot A., and Altmann S. Modelling the porewater chemistry of the Callovian-Oxfordian formation at a regional scale. C. R. Geosci. 338 (2006) 917-930
37. Gehin A., Greneche J.-M., Tournassat C., Brendle J., Rancourt D.G., and Charlet L. Reversible surface-sorption-induced electron-transfer oxidation of Fe(II) at reactive sites on a synthetic clay mineral. Geochim. Cosmochim. Acta 71 (2007) 863-876
38. 13C of dissolved carbon in mudrocks. Appl. Geochem. 20 (2005) 713-725
39. Grambow B. Mobile fission and activation products in nuclear waste disposal. J. Contam. Hydrol. 102 (2008) 180-186
40. Griffault L., Merceron T., Mossmann J.-R., Neerdael B., De Canniere P., Beaucaire C., Daumas S., Bianchi A. and Christen R. (1997) Acquisition and regulation of the water chemistry in clay environment. Project "Archimède". Final Report EUR 17454. ISBN 92-827-9046-0.
41. Griffault L., Bauer C., Waber H. N., Pearson F. J., Fierz T., Scholtis A., Degueldre C. and Eichinger L. (2003) Water sampling and analyses for boreholes and seepages. Annex 1 in Geochemistry of Water in the Opalinus Clay Formation at the Mont Terri Rock Laboratory (eds. F. J. Pearson et al.). Geology Series No. 5. Swiss Federal Office for Water and Geology, pp. 319.
42. Horseman S. T., Higgo J. J., Alexander J. and Harrington J. F. (1996) Water, gas, and solute movement through argillaceous media. In Rept. CC-96/1 (ed. NEA/OCDE). Paris, France.
43. Hummel W., Berner U.R., Curti E., Pearson F.J., and Thoenen T. NAGRA/PSI Chemical Thermodynamic Data Base 01/01 (2002), Universal Publishers/uPublish.com, Parkland, FL
44. Landais P. Advances in geochemical research for the underground disposal of high-level, long-lived radioactive waste in a clay formation. J. Geochem. Explor. 88 (2006) 32-36
45. Langmuir D. Aqueous Environmental Chemistry: Upper Saddle River (1997), Prentice Hall, New Jersey
46. Lassin A., Gaucher E. and Crouzet C. (2003) Dissolved carbon dioxide and hydrocarbon extraction. Annex 6 in Geochemistry of Water in the Opalinus Clay Formation at the Mont Terri Rock Laboratory (eds. J. Pearson et al.). Geology Series No. 5. Swiss Federal Office for Water and Geology, pp. 319.
47. 37Cl evidence. Geochim. Cosmochim. Acta 69 (2005) 4949-4961
48. Marty N.C.M., Tournassat C., Burnol A., Giffaut E., and Gaucher E.C. Influence of reaction kinetics and mesh refinement on the numerical modelling of concrete/clay interactions. J. Hydr. 364 (2009) 58-72
49. Mazurek M., Pearson F. J., Volckaert G. and Bock H. (2006) Features, events and processes evaluation. Catalogue for argillaceous media. NEA 4437. ISBN 92-64-02148-5.
50. Motellier S., Ly J., Gorgeon L., Charles Y., Hainos D., Meier P., and Page J. Modelling of the ion-exchange properties and indirect determination of the interstitial water composition of an argillaceous rock. Application to the Callovo-Oxfordian low-water-content formation. Appl. Geochem. 18 (2003) 1517-1530
51. Nordstrom D.K., and Munoz J.L. Geochemical Thermodynamics. second ed. (1994), Blackwell Scientific Publications, Boston
52. 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. Denver, CO. U.S. Geological Survey. Water Resources Investigations Report 99-4259, 312 p.
53. Pearson F. J. (1999) What is the porosity of a mudrock? In Muds and Mudstones: Physical and Fluid Flow Properties (eds. A. C. Aplin, A. J. Fleet and J. H. S. Macquaker). Geol. Soc. Spec. Pub., London, vol. 158, pp. 9-21.
54. Pearson F. J., Arcos D., Boisson J.-Y., Fernandez A. M., Gäbler H.-E., Gaucher E., Gautschi A., Griffault L., Hernan P. and Waber H. N. (2003) Mont Terri Project - Geochemistry of Water in the Opalinus Clay Formation at the Mont Terri Rock Laboratory. Geology Series No. 5. Swiss Federal Office of Water and Geology, Bern.
55. Plummer L.N., Bubsy F.F., Lee R.W., and Hanshaw B.B. Geochemical modeling of the madison aquifer in part of Montana, Wyoming and South Dakota. Water Resour. Res. 26 (1990) 1981-2014
56. 2O-NaCl. Am. J. Sci. 295 (1995) 1255-1342
57. Rémy J.C., and Orsini L. Utilisation du chlorure de cobaltihexamine pour la détermination simultanée de la capacité d'échange et des bases échangeables dans les sols. Sciences du Sol 4 (1976) 269-275
58. Sacchi E., Michelot J.-L., Pitsch H., Lalieux P., and Aranyossy J.-F. Extraction of water and solutes from argillaceous rocks for geochemical characterisation: methods, processes, and current understanding. Hydrogeol. J. 9 (2001) 17-33
59. Savage D. The Scientific and Regulatory Basis for the Geological Disposal of Radioactive Waste (1995), John Wiley & Sons
60. Sposito G. The Thermodynamics of Soil Solution (1981), Oxford University Press, New York
61. Stefánsson A., and Arnórsson S. Feldspar saturation state in natural waters. Geochim. Cosmochim. Acta 64 (2000) 2567-2584
62. Thorstenson D.C., Fisher D.W., and Croft M.G. Geochemistry of the Fox Hills Basal Hell Creek aquifer in Southwestern North-Dakota and Northwestern South-Dakota. Water Resour. Res. 15 (1979) 1479-1498
63. Thury M., and Bossart P. The Mont Terri rock laboratory, a new international research project in a Mesozoic shale formation, in Switzerland. Eng. Geol. 52 (1999) 347-359
64. Tournassat C., Greneche J. M., Blanc P., Brendlé J., Charlet L., Gaucher E. C., Gehin A. and Lerouge C. (2006) Mössbauer evidence for Fe(II) high redox reactivity in clay phases of Callovian-Oxfordian claystones. Methodological implications. In 1st Annual Workshop Proceedings 6TH EC FP - FUNMIG IP, pp. 236-240.
65. Tournassat C., Gailhanou H., Crouzet C., Braibant G., Gautier A., Lassin A., Blanc P., and Gaucher E.C. Two cation exchange models for direct and inverse modelling of solution major cation composition in equilibrium with illite surfaces. Geochim. Cosmochim. Acta 71 (2007) 1098-1114
66. Tournassat C., Lerouge C., Brendlé J., Greneche J.-M., Touzelet S., Blanc E., and Gaucher E.C. Cation exchanged Fe(II) as compared to other divalent cations (Ca, Mg, Sr) in the Callovian-Oxfordian formation. Implications for porewater composition modelling. Appl. Geochem. 23 (2008) 641-654
67. Tournassat C., Gailhanou H., Crouzet C., Braibant G., Gautier A., and Gaucher E.C. Cation exchange selectivity coefficient values on smectite and mixed-layer illite/smectite minerals Soil Sci. Soc. Am. J. 73 (2009) 928-942
68. Turrero M.J., Fernández A.M., Peña J., Sánchez M.D., Wersin P., Bossart P., Sánchez M., Melón A., Yllera A., Garralón A., Gómez P., and Hernán P. Pore water chemistry of a Paleogene continental mudrock in Spain and a Jurassic marine mudrock in Switzerland: sampling methods and geochemical interpretation. J. Iberian Geol. 32 (2006) 233-258
69. - in Opalinus Clay samples from Mont Terri: effect of confining pressure. J. Contam. Hydrol. 61 (2003) 73-83
70. - in a layered argillaceous rock (Opalinus Clay): diffusion perpendicular to the fabric. Appl. Geochem. 18 (2003) 1653-1662
71. Van Loon L.R., Soler J.M., Muller W., and Bradbury M.H. Anisotropic diffusion in layered argillaceous rocks: a case study with Opalinus Clay. Environ. Sci. Technol. 38 (2004) 5721-5728
72. - in Opalinus Clay at the Mont Terri underground rock laboratory. Radiochim. Acta 92 (2004) 757-763
73. Vieillard P. A new method for the prediction of Gibbs free energies of formation of hydrated clay minerals based on the electronegativity scale. Clays Clay Miner. 48 (2000) 459-473
74. Vieillard P. A new method for the prediction of Gibbs free energies of formation of phyllosilicates (10 Å and 14 Å) based on the electronegativity scale. Clays Clay Miner. 50 (2002) 352-363
75. Vieillard P. (2007) THERMOCHIMIE: estimation des enthalpies de formation des Phyllosilicates (7, 10 et 14 Å) anhydres. Report CNRS-Hydrasa 2007-1.
76. Vinsot A. and Mettler S. (2007). Callovo-Oxfordian porewater geochemical characterization. PAC experiment. Report ANDRA D RP ALS 07 0008.1, ANDRA, Underground Research Laboratory, Meuse Haute-Marne.
77. Vinsot A., Mettler S., and Wechner S. In situ characterization of the Callovo-Oxfordian pore water composition. Phys. Chem. Earth 33 (2008) S75-S86
78. Wersin P., Gautschi A., Vinsot A., De Cannière P., Hernan P., Gäbler H.-E., Hama K., Mahara Y. and Gaucher E. (2004) Results from the Porewater Chemistry (PC) experiment at Mont Terri, Switzerland. In Proc. of the 11th Inter. Symp. on Water-Rock Interaction, pp. 523-526.
79. Wolery T. J. (1992) EQ3/6, a software package for geochemical modeling of aqueous systems: package overview and installation guide. Version: thermo.com.V8.R6.230. Report UCRL-110662 PTI. Lawrence Livermore National Laboratory, Livermore, CA.