Interactions between mineral surfaces and dissolved species: From monovalent ions to complex organic molecules

American Journal of Science

Volumn 305, Issue 6-8 SPEC. ISS., 2005, Pages 791-825

  Becker, Udo ^a   Biswas, Subhashis ^a   Kendall, Treavor ^b   Risthaus, Peter ^c   Putnis, Christine V ^d   Pina, Carlos M ^e  

^a UNIVERSITY OF MICHIGAN   (United States)

^b HARVARD UNIVERSITY   (United States)

^c KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^d UNIVERSITY OF MÜNSTER   (Germany)

^e UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOLUTION; WATER-ROCK INTERACTION;

EID: 32644454402     PISSN: 00029599     EISSN: None     Source Type: Journal    
DOI: 10.2475/ajs.305.6-8.791     Document Type: Review

References (87)

1. Albrecht-Gary, A. M., and Crumbliss, A. L., 1998, Coordination chemistry of siderophores: Thermodynamics and kinetics of iron chelation and release, in Siegel, A., and Sigel, H., editors, Metal Ions in Biological Systems: Iron Transport and Storage in Microorganisms, Plants and Animals, v. 35: New York, Marcel Dekker, p. 239-327.
2. Allan, N. I., Rohl, A. L., Gay, D. H., Catlow, C. R. A., Davey, R. J., and Mackrodt, W. C., 1993, Calculated bulk and surface properties of sulfates: Faraday Discussions, v. 95, p. 273-280.
3. Amjad, Z., editor, 1995, Mineral Scale Formation and Inhibition: New York, Plenum Press, 354 p.
4. Archibald, D. D., Gaber, B. P., Hopwood, J. D., Mann, S., and Boland, T., 1997, Atomic force microscopy of synthetic barite microcrystals: Journal of Crystal Growth, v. 172, p. 231-248.
5. Becke, A. D., 1993, Density-functional thermochemistry. III. The role of exact exchange: Journal of Chemical Physics, v. 98, p. 5648-5652.
6. Becker, U., and Gasharova, B., 2001, AFM observations and simulations of jarosite growth at the molecular scale: probing the basis for the incorporation of foreign ions into jarosite as a storage mineral: Physics and Chemistry of Minerals, v. 28, p. 545-556.
7. Becker, U., Bosbach, D., and Pina, C., 1998, Dynamic simulation of crystal growth at the molecular scale: Toronto, Canada, International Mineralogical Association, 17th General Meeting, p. A92.
8. Becker, U., Risthaus, P., Bosbach, D., and Putnis, A., 2002, Selective attachment of monovalent background electrolyte ions and growth inhibitors to polar steps on sulfates as studied by molecular simulations and AFM observations: Molecular Simulation, v. 28, p. 607-632.
9. Black, S. N., Bromley, L. A., Cottier, D., Davey, R. J., Dobbs, B., and Rout, J. E., 1991, Interactions at the organic inorganic interface - Binding motifs for phosphonates at the surface of barite crystals: Journal of the Chemical Society-Faraday Transactions, v. 87, p. 3409-3414.
10. Blount, C. W., 1977, Barite solubilities and thermodynamic quantities up to 300°C and 1400 bars: American Mineralogist, v. 62, p. 942-957.
11. Bosbach, D., 2002, Linking molecular scale barite precipitation mechanisms with macroscopic reaction rates, in Hellmann, R., and Wood, S. A,, editors, Water-Rock Interactions, Ore Deposits, and Environmental Geochemistry: A Tribute to David A. Crerar: St. Louis, The Geochemical Society, Special Publication No. 7, p. 97-110.
12. Bosbach, D., and Hochella, M. F., Jr., 1996, Gypsum growth in the presence of growth inhibitors: A scanning force microscopy study: Chemical Geology, v. 132, p. 227-236.
13. Bosbach, D., Hall, C., and Putnis, A., 1998, Mineral precipitation and dissolution in aqueous solution: in situ microscopic observations on barite (001) with atomic force microscopy: Chemical Geology, v. 151, p. 143-160.
14. Bosbach, D., Coveney, P. V., Griffin, J. L. W., Putnis, A., Risthaus, P., Stackhouse, S., and Whiting, A., 2002, The rational design, synthesis and demonstration of the recognition and binding of a diaza-dioxa-12-crown-4 diphosphonate macrocycle to all crystal growth faces of barium sulfate: Journal of the Chemical Society, Perkin Transactions 2, p. 1238-1245.
15. 4: Journal of the Electrochemical Society, v. 114, p. 108-109.
16. 3(cr) at 25°C and 1 atm total pressure: Geochimica et Cosmochimica Acta, v. 48, p. 2021-2035.
17. Busing, W. R., and Levy, H. A., 1958, A single crystal neutron diffraction study of diaspore, AlO(OH): Acta Crystallographica, v. 11, p. 798-803.
18. Cabrera, N., 1953, Macroscopic spirals and the dislocation theory of crystal growth: Journal of Chemical Physics, v. 21, p. 1111-1112.
19. Cabrera, N., and Vermilyea, D. A., 1958, The growth of crystals from solution, in Doremus, R. H., Roberts, B. W., and Turnbull, D., editors, Growth and Perfection of Crystals: London, Chapman and Hall, p. 393-410.
20. Cappella, B., and Dietler, G., 1999, Force-distance curves by atomic force microscopy: Surface Science Reports, v. 34, p. 1-2.
21. Cheah, S. F., Kraemer, S. M., Cervini-Silva, J., and Sposito, G., 2003, Steady-state dissolution kinetics of goethite in the presence of desferrioxamine B and oxalate ligands: implications for the microbial acquisition of iron: Chemical Geology, v. 198, p. 63-75.
22. Christy, A. G., and Putnis, A., 1993, The kinetics of barite dissolution and precipitation in water and sodium-chloride brines at 44-85°C: Geochimica et Cosmochimica Acta, v. 57, p. 2161-2168.
23. Cocozza, C., Tsao, C. C. G., Cheah, S. F., Kraemer, S. M., Raymond, K. N., Miano, T. M., and Sposito, G., 2002, Temperature dependence of goethite dissolution promoted by trihydroxamate siderophores: Geochimica et Cosmochimica Acta, v. 66, p. 431-438.
24. Cooper, T. G., and De Leeuw, N. H., 2002, Adsorption of methanoic acid onto the low-index surfaces of calcite and aragonite: Molecular Simulation, v. 28, p. 539-556.
25. Cornell, R. M., and Schwertmann, U., 1996, The Iron Oxides: Structure, Properties, Reactions, Occurrence and Uses: Zürich, VCH Verlagsgesellschaft, 573 p.
26. Corstjens, P., van der Kooij, A., Linschooten, C., Brouwers, G. J., Westbroek, P., and de Vrind-de Jong, E. W., 1998, GPA, a calcium-binding protein in the coccolithophorid Emiliania Huxleyi (Prymnesiophyceae): Journal of Phycology, v. 34, p. 622-630.
27. Coveney, P. V., Davey, R. J., Griffin, J. L. W., and Whiting, A., 1998, Molecular design and testing of organophosphonates for inhibition of crystallisation of ettringite and cement hydration: Chemical Communications, v. 14, p. 1467-1468.
28. Coveney, P. V., Davey, R., Griffin, J. L. W., He, Y., Hamlin, J. D., Stackhouse, S., and Whiting, A., 2000, A new design strategy for molecular recognition in heterogeneous systems: A universal crystal-face growth inhibitor for barium sulfate: Journal of the American Chemical Society, v. 122, p. 11557-11558.
29. Davey, R. J., Black, S. N., Bromley, L. A., Cottier, D., Dobbs, B., and Rout, J. E., 1991, Molecular design based on recognition at inorganic surfaces: Nature, v. 353, p. 549-550.
30. De Leeuw, N. H., and Cooper, T. G., 2004, A computer modeling study of the inhibiting effect of organic adsorbates on calcite crystal growth: Crystal Growth and Design, v. 4, p. 123-133.
31. De Leeuw, N. H., and Parker, S. C., 1997, Atomistic simulation of the effect of molecular adsorption of water on the surface structure and energies of calcite surfaces: Journal of the Chemical Society-Faraday Transactions, v. 93, p. 467-475.
32. De Leeuw, N. H., Parker, S. C., and Harding, J. H., 1999, Molecular dynamics simulation of crystal dissolution from calcite steps: Physical Review B, v. 60, p. 13792-13799.
33. Dove, P. M., and Czank, C. A., 1995, Crystal-chemical controls on the dissolution kinetics of the isostructural sulfates - celestite, anglesite, and barite: Geochimica et Cosmochimica Acta, v. 59, p. 1907-1915.
34. Dunn, K., and Yen, T. F., 1999, Dissolution of barium sulfate scale deposits by chelating agents: Environmental Science and Technology, v. 33, p. 2821-2824.
35. Frisch, M. J., Tomasi, J., Pople, J., and Gaussian, I., 1998, Gaussian98: Pittsburgh, Pennsylvania.
36. Gale, J., 1998, GULP (General Utility Lattice Program): London, The Royal Institution.
37. Gerbaud, V., Pignol, D., Loret, E., Bertrand, J. A., Berland, Y., Fontecilla-Camps, J. C., Canselier, J. P., Gabas, N., and Verdier, J. M., 2000, Mechanism of calcite crystal growth inhibition by the N-terminal undecapeptide of lithostathine: Journal of Biological Chemistry, v. 275, p. 1057-1064.
38. Gualtieri, A. F., and Venturelli, P., 1999, In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction: American Mineralogist, v. 84, p. 895-904.
39. Hansen, D. C., McCafferty, E., Lins, C. W., and Fitzpatrick, J. J., 1995, An FT-IR investigation of parabactin adsorbed onto aluminum: Applied Surface Science, v. 84, p. 85-90.
40. Hay, B. P., and Rustad, J. R., 1994, Structural criteria for the rational design of Selective Ligands-Extension of the MM3 force-field to aliphatic ether Complexes of the alkali and alkaline-Earth cations: Journal of the American Chemical Society, v. 116, p. 6316-6326.
41. Hay, B. P., Zhang, D. L., and Rustad, J. R., 1996, Structural criteria for the rational design of selective ligands. 2. Effect of alkyl substitution on metal ion complex stability with ligands bearing ethylene-bridged ether donors: Inorganic Chemistry, v. 35, p. 2650-2658.
42. Hay, B. P., Dixon, D. A., Vargas, R., Garza, J., and Raymond, K. N., 2001, Structural criteria for the rational design of selective ligands. 3. Quantitative structure-stability relationship for iron (III) complexation by tris-catecholamide siderophores: Inorganic Chemistry, v. 40, p. 3922-3935.
43. He, S. L., Oddo, J. E., and Tomson, M. B., 1995, The nucleation kinetics of barium-sulfate in NaCl solutions up to 6 M and 90°C: Journal of Colloid and Interface Science, v. 174, p. 319-326.
44. Hersman, L., Lloyd, T., and Sposito, G., 1995, Siderophore-promoted dissolution of hematite: Geochimica et Cosmochimica Acta, v. 59, p. 3327-3330.
45. Hersman, L., Maurice, P., and Sposito, G., 1996, Iron acquisition from hydrous Fe (III)-oxides by an aerobic Pseudomonas sp: Chemical Geology, v. 132, p. 25-31.
46. Hider, R. C., 1984, Siderophore mediated adsorption of iron, in Clarke, M. J., Ibers, J. A., Mingos, D. M. P., Palmer, G. A., Sadler, P. J., and Williams, R. J. P., editors, Structure and Bonding: Siderophores from Microorganisms and Plants, v. 58: Heidelberg, Springer-Verlag, p. 25-87.
47. Higgins, S. R., Jordan, G., Eggleston, G. M., and Knauss, K. G., 1998, Dissolution kinetics of the barium sulfate (001) surface by hydrothermal atomic force microscopy: Langmuir, v. 14, p. 4967-4971.
48. Holmen, B. A., and Casey, W. H., 1996, Hydroxamate ligands, surface chemistry, and the mechanism of ligand-promoted dissolution of goethite α-FeOOH(s): Geochimica et Cosmochimica Acta, v. 60, p. 4403-4416.
49. Holmen, B. A., Tejedor-Tejedor, M. I., and Casey, W. H., 1997, Hydroxamate complexes in solution and at the goethite-water interface: A cylindrical internal reflection Fourier transform infrared spectroscopy study: Langmuir, v. 13, p. 2197-2206.
50. Jones, F., Clegg, J., Oliveira, A., Rohl, A. L., Ogden, M. L, Parkinson, G. M., Fogg, A. M., and Reyhani, M. M., 2001, Anomalous behaviour within a systematic series of barium sulfate growth modifiers: CrystEng-Comm, v. 3(40), p. 165-167, DOI: 10.1039/b106729j.
51. Jones, F., Oliveira, A., Rohl, A. L., Parkinson, G. M., Ogden, M. I., and Reyhani, M. M., 2002, Investigation into the effect of phosphonate inhibitors on barium sulfate precipitation: Journal of Crystal Growth, v. 237, p. 424-429.
52. Kalinowski, B. E., Liermann, L. J., Brantley, S. L., Barnes, A., and Pantano, C. G., 2000, X-ray photoelectron evidence for bacteria-enhanced dissolution of homblende: Geochimica et Cosmochimica Acta, v. 64, p. 1331-1343.
53. Kendall, T. A., and Hochella, M. F., Jr., 2003, Measurement and interpretation of molecular-level forces of interaction between the siderophore azotobactin and mineral surfaces: Geochimica et Cosmochimica Acta, v. 67, p. 3537-3546.
54. Kendall, T. A., and Lower, S. K., 2004, Forces between minerals and biological surfaces in aqueous solution: Advances in Agronomy, v. 82, p. 1-54.
55. Kendall, T. A., Hochella, M. F., Jr., and Becker, U., 2005, Computational modeling of azotobactin-goethite/diaspore interactions: Applications to molecular force measurements and siderophore-mincral reactivity: Chemical Geology, v. 216, p. 17-35.
56. Kraemer, S. M., Cheah, S. F., Zapf, R., Xu, J. D., Raymond, K. N., and Sposito, G., 1999, Effect of hydroxamate siderophores on Fe release and Ph (II) adsorption by goethite: Geochimica et Cosmochimica Acta, v. 63, p. 3003-3008.
57. Lee, C. T., Yang, W. T., and Parr, R. G., 1988, Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density: Physical Review B, v. 37, p. 785-789.
58. 4 fibers synthesized in AOT microemulsions: Langmuir, v. 16, p. 7088-7094.
59. Liermann, L. J., Kalinowski, B. E., Brantley, S. L., and Ferry, J. G., 2000, Role of bacterial siderophores in dissolution of homblende: Geochimica et Cosmochimica Acta, v. 64, p. 587-602.
60. Lumetta, G. J., Rapko, B. M., Garza, P. A., Hay, B. P., Gilbertson, R. D., Weakley, T. J. R., and Hutchison, J. E., 2002, Deliberate design of ligand architecture yields dramatic enhancement of metal ion affinity: Journal of the American Chemical Society, v. 124, p. 5644-5645.
61. Mann S., 2001, Biomineralization: Oxford, United Kingdom, Oxford University Press, 198 p.
62. McWhirter, M. J., Bremer, P. J., Lamont, I. L., and McQuillan, A. J., 2003, Siderophore-mediated covalent bonding to metal (oxide) surfaces during biofilm initiation by Pseudomonas aeruginosa bacteria: Langmuir, v. 19, p. 3575-3577.
63. Miertus, S., and Tomasi, J., 1982, Approximate evaluations of the electrostatic free-energy and internal energy changes in solution processes: Chemical Physics, v. 65, p. 239-245.
64. Monnin, C., and Galinier, C., 1988, The solubility of celestite and barite in electrolyte-solutions and natural waters at 25°C - a thermodynamic study: Chemical Geology, v. 71, p. 283-296.
65. Nielsen, A. E., and Sohnel, O., 1971, Interfacial tensions electrolyte crystal-aqueous solution, from nucleation data: Journal of Crystal Growth, v. 11, p. 233-234.
66. Nygren, M. A., Gay, D. H., Catlow, C. R. A., Wilson, M. P., and Rohl, A. L., 1998, Incorporation of growth-inhibiting diphosphates into steps on the calcite cleavage plane surface: Journal of the Chemical Society-Faraday Transactions, v. 94, p. 3685-3693.
67. Palanche, T., Marmolle, F., Abdallah, M. A., Shanzer, A., and Albrecht-Gary, A. M., 1999, Fluorescent siderophore-based chemosensors: iron(III) quantitative determinations: Journal of Biological Inorganic Chemistry, v. 4, p. 188-198.
68. Parker, S. C., Titiloye, J. O., and Watson, G. W., 1993, Molecular modeling of carbonate minerals-studies of growth and morphology: Philosophical Transactions of the Royal Society of London Series A-Mathematical Physical and Engineering Sciences, v. 344, p. 37-48.
69. Pina, C. M., Becker, U., Risthaus, P., Bosbach, D., and Putnis, A., 1998a, Molecular-scale mechanisms of crystal growth in barite: Nature, v. 395, p. 483-486.
70. Pina, C. M., Bosbach, D., Prieto, M., and Putnis, A., 1998b, Microtopograhy of the barite (001) face during growth, AFM observations and PBC theory: Journal of Crystal Growth, v. 187, p. 119-125.
71. Pina, C. M., Putnis, C. V., Becker, U., Biswas, S., Carroll, E. C., Bosbach, D., and Putnis, A., 2004, An atomic force microscopy and molecular simulations study of the inhibition of barite growth by phosphonates: Surface Science, v. 553, p. 61-74.
72. Putnis, A., Putnis, C. V., and Paul, J. M., 1995, The efficiency of a DTPA-based solvent in the dissolution of barium sulfate scale deposits: San Antonio, Texas, Paper SPE 029094 Proceedings of the 1995 SPE International Symposium on Oilfield Chemistry, p. 773-785.
73. Qi, L. M., Cölfen, H., and Antonietti, M., 2000, Control of barite morphology by double-hydrophilic block copolymers: Chemistry of Materials, v. 12, p. 2392-2403.
74. Rappe, A. K., Casewit, C. J., Colwell, K. S., Goddard, W. A., and Skiff, W. M., 1992, UFF, a full periodic-table force-field for molecular mechanics and molecular-dynamics simulations: Journal of the American Chemical Society, v. 114, p. 10024-10035.
75. Rashin, A. A., and Honig, B., 1985, Reevaluation of the Born model of ion hydration: Journal of Physical Chemistry, v. 89, 5588-5593.
76. 4(s)) solubility in water, seawater and NaCl solution: Geochimica et Cosmochimica Acta, v. 51, p. 63-72.
77. 4: Journal of the Chemical Society-Faraday Transactions, v. 94, p. 1947-1952.
78. Risthaus, P., Bosbach, D., Becker, U., and Putnis, A., 2001, Barite scale formation and dissolution at high ionic strength studied with atomic force microscopy: Colloids and Surfaces A-Physicochemical and Engineering Aspects, v. 191, p. 201-214.
79. Rohl, A. L., Gay, D. H., Davey, R. J., and Carlow, C. R. A., 1996, Interactions at the organic/inorganic interface: Molecular modeling of the interaction between diphosphonates and the surfaces of barite crystals: Journal of the American Chemical Society, v. 118, p. 642-648.
80. Sangwal, K., 1998, Growth kinetics and surface morphology of crystals grown from solutions: Recent observations and their interpretations: Progress in Crystal Growth and Characterization of Materials, v. 36, p. 163-248.
81. Sayle, D. C., Catlow, C. R. A., Harding, J. H., Healy, M. J. F., Maicaneanu, S. A., Parker, S. C., Slater, B., and Watson, G. W., 2000, Atomistic simulation methodologies for modelling the nucleation, growth and structure of interfaces: Journal of Materials Chemistry, v. 10, p. 1315-1324.
82. Shiraki, R., Rock, P. A., and Casey, W. H., 2000, Dissolution kinetics of calcite in 0.1 m NaCl solution at room temperature: An atomic force microscopic (AFM) study: Aquatic Geochemistry, v. 6, p. 87-108.
83. Telford, J. R., and Raymond, K. N., 1996, Siderophores: Comprehensive Supramolecular Chemistry, v. 1, p. 245-266.
84. Van der Leeden, M. C., and van Rosmalen, G. M., 1995, Adsorption behavior of polyelectrolytes on barium-sulfate crystals: Journal of Colloid and Interface Science, v. 171, p. 142-149.
85. Wang, K. S., Resch, R., Dunn, K., Shuler, P., Tang, Y. C., Koel, B. E., and Yen, T. F., 1999a, Dissolution of the barite (001) surface by the chelating agent DTPA as studied with non-contact atomic force microscopy: Colloids and Surfaces A-Physicochemical and Engineering Aspects, v. 160, p. 217-227.
86. Wang, K. S., Resch, R., Koel, B. E., Shuler, P. J., Tang, Y. C., Chen, H. J., and Yen, T. F., 1999b, Study of the dissolution of the barium sulfate (001) surface with hydrochloric acid by atomic force microscopy: Journal of Colloid and Interface Science, v. 219, p. 212-215.
87. Wang, K. S., Resch, R., Dunn, K., Shuler, P., Tang, Y. C., Kocl, B. E., and Yen, T. F., 2000, Scanning force microscopy study of etch pits formed during dissolution of a barite (001) surface in CDTA and EDTA solutions: Langmuir, v. 16, p. 649-655.