An EXAFS study of solvation and ion pairing in aqueous strontium solutions to 300°C

Geochimica et Cosmochimica Acta

Volumn 63, Issue 16, 1999, Pages 2409-2418

  Seward, T M ^a   Henderson, C M B ^b   Charnock, J M ^b   Driesner, T ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTION; ION EXCHANGE; STRONTIUM;

EID: 0033396943     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0016-7037(99)00200-8     Document Type: Article

References (66)

1. Albright J.N. X-ray diffraction studies of aqueous alkaline earth chloride solutions. J. Chem. Phys. 56:1972;3783-3786.
2. Anderson A.J., Mayanovic R.A., Bajt S. A microbeam Xafs study of aqueous chlorozinc complexing to 430°C in fluid inclusions from the Knaumühle granitic pegmatite, Saxonian granulite massif, Germany. Can. Mineral. 36:1998;511-524.
3. Berendsen H.J., Potsma J.P., van Gunsteren W.F., Hermans J. Interaction models for water in relation to protein hydration. Pullmann B. Intermolecular forces. 1981;331-342 Wiley Interscience.
4. Binsted N., Campbell J. W., Gurman S. J., and Stephenson P. C. (1991) SERC Daresbury Laboratory EXCURV 92 Programme.
5. Bopp P., Jancso G., Heinzinger K. An improved potential for non-rigid water molecules in the liquid phase. Chem. Phys. Lett. 98:1983;129-133.
6. 2O. Zeit. Anorg. Chem. 538:1986;131-142.
7. 2 solutions. J. Appl. Cryst. 15:1982;482-487.
8. Chialvo A.A., Cummings P.T. Microstructure of ambient and supercritical water. Direct comparison between simulation and neutron scattering experiments. J. Phys. Chem. 100:1996;1309-1316.
9. - ion pair association in supercritical water. J. Chem. Phys. 103:1995;9379-9387.
10. Cochran H.D., Cummings P.T., Karaborni S. Solvation in supercritical water. Fluid Phase Equilib. 71:1992;1-16.
11. Dang L.X., Rice J.E., Kollman P.A. The effect of water models on the interaction of the sodium-chloride ion pair in water Molecular dynamics simulations . J. Chem. Phys. 93:1990;7528-7529.
12. - in a concentrated nickel chloride solution at 100°C and 300°C. J. Chem. Phys. 105:1996;5155-5159.
13. De Pablo J.J., Prausnitz J.N., Strauch H.J., Cummings P.T. Molecular simulation of water along the liquid-vapor coexistence curve from 25°C to the critical point. J. Chem. Phys. 93:1990;7355-7359.
14. De Villiers J.P.R. Crystal structures of aragonite, strontianite and witherite. Am. Mineral. 56:1971;758-767.
15. 2 solutions using rigid and flexible water molecules. J. Chem. Phys. (in press).
16. Driesner T. and Seward T. M. (1999) Experimental and simulation study of salt effects and pressure/density effects on oxygen and hydrogen stable isotope liquid-vapor fractionation for 4 molal NaCl and KCl in aqueous solutions to 400°C. Geochim. Cosmochim. Acta63 (in press).
17. Driesner T., Seward T.M., Tironi I.G. Molecular dynamics simulation study of ionic hydration and ion association in dilute and 1 molal sodium-chloride solutions from ambient to supercritical conditions. Geochim. Cosmochim. Acta. 62:1998;3095-3107.
18. - and their role in the fractionation of oxygen and hydrogen stable isotopes. Geochim. Cosmochim. Acta (submitted).
19. Ducomunn Y. and Merbach A. E. (1986) Solvent exchange kinetics. In Inorganic high pressure chemistry: Kinetics and mechanisms (ed. R. van Eldrik). Studies in Inorg. Chem. 7, pp. 69-113. Elsevier.
20. Fulton J.L., Pfund D.M., Wallen S.L., Newville M., Stern E.A., Ma Y. Rubidium ion hydration in ambient and supercritical water. J. Chem. Phys. 105:1996;2161-2166.
21. Fulton J.L., Wallen S.L., Palmer B.J. Hydration of ions in supercritical water. Palmer D.A., Wesolowski D.J. Proceedings of the 5th International Symposium on Hydrothermal Reactions. 1997;167-170 Oak Ridge Nat. Lab, Tennessee.
22. Gorbaty Yu.E., Kalinichev A.G. Hydrogen bonding in supercritical water. I. Experimental results. J. Phys. Chem. 99:1995;5336-5340.
23. Grueningen H.W., Baernighausen H. Crystal structure of strontium hydroxide. Zeitschr. Anorg. Allg. Chemie. 368:1969;56-61.
24. Guardia E., Rey R., Padro J.A. Potential of mean force by constrained molecular dynamics A sodium-chloride ion pair in water . Chem. Phys. 155:1991;187-195.
25. Gurman S.J., Binsted N., Ross I. A rapid exact curved-wave theory for EXAFS calculations. The multiple scattering contributions. J. Phys. C. 19:1984;1845-1861.
26. Gurman S.J., Binsted N., Ross I. A rapid, exact curved-wave theory for EXAFS calculations, II. J. Phys. C. 17:1986;143-151.
27. Hoffmann M.M., Conradi M.S. Are there hydrogen bonds in supercritical water? J. Am. Chem. Soc. 119:1997;3811-3817.
28. 2. J. Chem. Thermodynamics. 13:1981;131-137.
29. Horita J., Cole D.R., Wesolowski D.J. The activity-composition relationship of oxygen and hydrogen isotopes in aqueous salt solutions. III. vapor-liquid equilibration of NaCl solutions to 350°C. Geochim. Cosmochim. Acta. 59:1995;1139-1151.
30. Howell I., Neilson G.W., Chieux P. Neutron diffraction studies of ions in aqueous solution. J. Mol. Structure. 250:1991;281-289.
31. Joyner R.W., Martin K.J., Muhan P. Some applications of statistical tests in analysis of EXAFS and SEXAFS data. J. Phys. C. 20:1987;4005-4012.
32. Kalinichev A.G., Bass J.D. Hydrogen bonding in supercritical water A Monte Carlo simulation . Chem. Phys. Lett. 231:1994;301-307.
33. Karim O.A., McCammon J.A. Dynamics of a sodium-chloride ion pair in water. J. Am. Chem. Soc. 108:1986;1762-1766.
34. Lee P. A. and Pendry J. B. (1975) Theory of extended X-ray absorption fine structure. Phys. Rev. B11, 2795-2811.
35. Luty B.A., Davis M.E., Tironi I.G., van Gunsteren W.F. A comparison of particle-particle, particle-mesh and Ewald methods for calculating electrostatic interactions in periodic molecular systems. Mol. Simulation. 14:1994;11-20.
36. Magini M., Licheri G., Paschina G., Piccaluga G., Pinna G. X-ray Diffraction of ions in aqueous solutions Hydration and complex formation . 1988;CRC Press.
37. + hydration by means of a semicontinuum quantum-chemical solvation model. J. Phys. Chem. 101:1997;4444-4448.
38. Mayer V., Wood R.H. Volumetric properties of aqueous 1-1 electrolytes near and above the critical temperature of water. III. Experimental densities and apparent molar volumes of CsBr(aq) to the temperature 725.5 K and the pressure 38.0 MPa, comparison with other 1-1 electrolytes, and extrapolations to infinite dilution for NaCl(aq). J. Chem. Thermodynamics. 26:1994;1143-1166.
39. McKibben M.A., Hardie L.A. Ore-forming brines in active continental rifts. Barnes H.L. Geochemistry of hydrothermal ore deposits. 1997;877-935 Wiley Interscience.
40. Mosselmans J.F.W., Schofield P.F., Charnock J.M., Garner C.D., Pattrick R.A.D., Vaughan D.J. X-ray absorption studies of metal complexes in aqueous solution at elevated temperatures. Chem. Geol. 127:1996;339-350.
41. Neilson G.W. Interatomic structure in aqueous solutions. Pure and Applied Chem. 65:1993;2583-2587.
42. 2+ in aqueous solution. Chem. Phys. Lett. 167:1990;429-431.
43. Neilson G.W., Broadbent R.D., Howell I., Tromp R.H. Structural and dynamical aspects of aqueous ionic solutions. J. Chem. Soc. Farad. Trans. 89:1993;2927-2936.
44. Oelkers E.H., Helgeson H.C. Multiple ion association in supercritical aqueous solutions of single electrolytes. Science. 261:1993;888-891.
45. Oelkers E.H., Helgeson H.C. Calculation of dissociation constants and the relative stabilities of polynuclear clusters of 1:1 electrolytes in hydrothermal solutions at supercritical pressures and temperatures. Geochim. Cosmochim. Acta. 57:1993;2673-2697.
46. Palmer B.J., Pfund D.M., Fulton J.L. Direct modeling of EXAFS spectra from molecular dynamics simulations. J. Phys. Chem. 100:1996;13393-13398.
47. Parkman R.H., Charnock J.M., Livens F.R., Vaughan D.J. A study of the interaction of strontium ions in aqueous solution with the surfaces of calcite and kaolinite. Geochim. Cosmochim. Acta. 62:1998;1481-1492.
48. Persson I., Sandström M., Yokoyama H., Chaudhry M. Structure of the solvated strontium and barium ions in aqueous, dimethyl sulfoxide and pyridine solution and crystal structure of strontium and barium hydroxide octahydrate. Zeit. Naturforsch. 50a:1995;21-37.
49. Pfund D.M., Darab J.G., Fulton J.L., Ma Y. An EXAFS study of strontium ions and krypton in supercritical water. J. Phys. Chem. 98:1994;13102-13107.
50. Primak W., Kaufman H., Ward R. X-ray diffraction studies of systems involved in the preparation of alkaline earth sulphide and selenide phosphors. J. Am. Chem. Soc. 70:1948;2043-2046.
51. Rona P.A. Hydrothermal mineralization at oceanic ridges. Can. Mineralogist. 26:1988;431-465.
52. Seward T.M. Hydrothermal solution speciation Solvation to ion pairing and complexing . Palmer D.A., Wesolowski D.J. Proceedings of the 5th International Symposium on Hydrothermal Reactions. 1997;7-9 Oak Ridge Nat. Lab. Tennessee.
53. 2 emission from the Taupo Volcanic Zone, New Zealand. Earth Plan. Sci. Lett. 139:1996;105-113.
54. 2 to 250°C. Cuney M., Cathelineau M. Proceedings of the 4th International Symposium on Hydrothermal Reactions. 1993;231-233 Inst. Lorrain.
55. 3 solutions. Min. Mag. 58A:1994;819-820.
56. Seward T.M., Henderson C.M.B., Charnock J.M., Dobson B.R. The hydration of metal cations in hydrothermal solutions Recent EXAFS results . Water-Rock Interaction. 8:1995;43-46.
57. + in hydrothermal solutions to 350°C. Geochim. Cosmochim. Acta. 60:1996;2273-2282.
58. Seward T. M., Henderson C. M. B., and Charnock J. M. (1999) Solvation and stepwise complex formation in aqueous cadmium solutions to 300°C: An EXAFS study. (submitted).
59. Soper A.K., Bruni F., Ricci M.A. Site-site pair correlation functions of water from 25 to 400°C Revised analysis of new and old diffraction data . J. Chem. Phys. 106:1997;247-254.
60. 2 solution. J. Phys. Chem. 92:1988;6754-6761.
61. OO(r). J. Chem. Phys. 101:1994;6210-6215.
62. Van Damm K.L., Edmond J.M., Grant B., Measures C.I., Walden B., Weiss R.F. Chemistry of submarine hydrothermal solutions at 21°N, East Pacific Rise. Geochim. Cosmochim. Acta. 49:1985;2197-2220.
63. 2+ in supercritical water at 425°C determined by X-ray absorption fine structure and molecular dynamics studies. J. Chem. Phys. 108:1998;4039-4046.
64. Wolery T.J., Sleep N.H. Hydrothermal circulation and geochemical flux at mid-ocean ridges. J. Geol. 84:1976;249-275.
65. Yamaguchi T., Yamanaka K., Ohzono H., Yamagami M., and Wakita H. (1994) Structures of water and aqueous LiCl solutions in sub- and supercritical state by X-ray and neutron diffraction. In Proceedings of the 12th International Conference on the Properties of Water and Steam, 11-16 Sept. 1994, Orlando, Florida.
66. Yamanaka K., Yamaguchi T., Wakita H. Structure of water in the liquid and supercritical states by rapid X-ray diffractometry using an image plate detector. J. Chem. Phys. 101:1994;9830-9836.