Atomistic simulation of the differences between calcite and dolomite surfaces

Geochimica et Cosmochimica Acta

Volumn 62, Issue 15, 1998, Pages 2637-2641

  Titiloye, J O ^a   De Leeuw, N H ^b   Parker, S C ^b  

^a UNIVERSITY OF ABERTAY DUNDEE   (United Kingdom)

^b University of Bath Claverton Down   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CALCITE; CRYSTAL STRUCTURE; DOLOMITE; MODELING; SURFACE STRUCTURE;

EID: 0032461149     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0016-7037(98)00177-X     Document Type: Article

References (27)

1. Born M., Huang K. (1954) Dynamical Theory of Crystal Lattices. Oxford Univ. Press.
2. Brady P. V., Krumhansl J. L., and Papenguth H. W. (1996) Surface complexation clues to dolomite growth. Geochim. Cosmochim. Acta 60, 727-731.
3. Colbourn E. A. (1992) Computer simulation of defects and reactions at oxide surfaces. Surf. Sci. Rep. 15, 281-319.
4. Deer W. A., Howie R. A., and Zussman J. (1992) Introduction to the Rock Forming Minerals. Longman.
5. Dick B. G. and Overhauser A. W. (1958) Theory of the dielectric constants of alkali halide crystals. Phys. Rev. 112, 90-103.
6. Fowles J. (1991) Dolomite: The mineral that shouldn't exist. New Scientist 26, 46-50.
7. Gibbs J. W. (1928) Collected Works. Longman.
8. 3 behaviour. Solid State Ionics 63, 786.
9. Graf D. L. and Goldsmith J. R. (1956) Some hydrothermal synthesis of dolomite and protodolomite. J. Geol. 64, 173-186.
10. CO2 on the partitioning of magnesium in calcite overgrowths precipitated from artificial seawater at 25° and 1 atm total pressure. Geochim. Cosmochim. Acta 60, 315-324.
11. Kabasci S., Althaus W., and Weinspack P.-M. (1996) Batch-precipitation of calcium carbonate from highly supersaturated solutions. Trans. Chem. Eng. 74, 765-772.
12. 3: An experimental study at 252-295°C. Geochim. Cosmochim. Acta 41, 297-308.
13. Kretz R. (1988) SEM study of dolomite microcrystals in Greenville marble. Amer. Mineral. 73, 619-631.
14. Landolt-Bornstein (1966) Elastic, Piezoelectric, and Related Constants of Crystals. Springer.
15. 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. J. Chem. Soc. Faraday Trans. 93, 467-475.
16. Mann S. (1996) Molecular Tectonics in biomineralisation and biomimetic materials chemistry. Nature 365, 7.
17. 3 J. Chem. Soc. Faraday Trans. 92, 2049-2056.
18. Parker S. C., Oliver P. M., de Leeuw N. H., Titiloye J. O., and Watson G. W. (1997) Atomistic simulation of mineral surfaces: Studies of surface stability and growth. Phase Trans. 61, 83-107.
19. 3 Phys. Chem. Minerals 23, 89-93.
20. Rajam S. and Mann S. (1990) Selective stabilization of the (001) face of calcite in the presence of lithium J. Chem. Soc. Chem. Commun. 1789-1791.
21. Sternbeck J. (1997) Kinetics of rhodochrosite crystal growth at 25°C: The role of surface speciation. Geochim. Cosmochim. Acta 61, 785-793.
22. Tasker P. W. (1979) The surface energies, surface tensions and surface structure of the alkali halide crystals. Phil. Mag. A 39, 119-136.
23. Tasker P. W., Colbourn E. A., and Mackrodt W. C. (1985) Segregation of isovalent impurity cations at the surfaces of MgO and CaO. J. Amer. Ceram. Soc. 68, 74-80.
24. Titiloye J. O., Parker S. C., and Mann S. (1993) Atomistic simulation of calcite surfaces and the influence of growth additives on their morphology. J. Cryst. Growth 131, 533-545.
25. Watson G. W., Kelsey E. T., de Leeuw N. H., Harris D. J., and Parker S. C. (1996) Atomistic simulation of dislocations, surfaces and interfaces in MgO. J. Chem. Soc. Faraday Trans. 92, 433-438.
26. Wogelius R. A., Fraser D. G., Wall G. R. T., and Grime G. W. (1997) Trace element and isotopic zonation in vein calcite from the Mendip Hills, UK, with spatial-process correlation analysis. Geochim. Cosmochim. Acta 61, 2037-2051.
27. Wulff G. (1901) Zur Frage der Geschwindigkeit des Wachstums und der Auflosung der Krystallflachen. Z. Kristallogr. Kristallgeom. 34, 949.