Using estimated thermodynamic properties to model accessory phases: The case of tourmaline

Journal of Metamorphic Geology

Volumn 25, Issue 7, 2007, Pages 769-779

  Van Hinsberg, V J ^a,b   Schumacher, J C ^a  

^a UNIVERSITY OF BRISTOL   (United Kingdom)

^b Ceramics Research Centre   (Netherlands)

Author keywords

Accessory phases; Petrogenetic modelling; Polyhedron method; Thermodynamic properties; Tourmaline

Indexed keywords

ACCESSORY MINERAL; GARNET; HYDROTHERMAL FLUID; MODELING; P-T CONDITIONS; PETROGENESIS; PHASE TRANSITION; STAUROLITE; THERMODYNAMIC PROPERTY; TOURMALINE;

EID: 34548337433     PISSN: 02634929     EISSN: 15251314     Source Type: Journal    
DOI: 10.1111/j.1525-1314.2007.00728.x     Document Type: Article

References (40)

1. Anovitz, L. M. & Hemingway, B. S., 1996. Thermodynamics of boron minerals: Summary of structural, volumetric and thermodynamic data. In: Boron. Mineralogy, Petrology and Geochemistry (eds Grew, E.S. & Anovitz, L.M.), Reviews in Mineralogy, 33, 181-262.
2. Bale, C. W., Chartrand, P., Degterov, S. A. et al. 2002. FactSage thermochemical software and databases. Computer Coupling of Phase Diagrams and Thermochemistry, 26, 189-228.
3. 2. Contributions to Mineralogy and Petrology, 126, 1-24.
4. Bucher, K., de Capitani, C. & Grapes, R., 2005. The development of a margarite-corundum blackwall by metasomatic alteration of a slice of mica schist in ultramafic rock, Kvesjöen, Norwegian Caledonides. The Canadian Mineralogist, 43, 129-156.
5. Chatterjee, N. D., Krueger, R., Haller, G. & Olbricht, W., 1998. The Bayesian approach to an internally consistent thermodynamic database: theory, database, and generation of phase diagrams. Contributions to Mineralogy and Petrology, 133, 149-168.
6. Chermak, J. A. & Rimstidt, J. D., 1989. Estimating the thermodynamic properties (ΔG and ΔH of silicate minerals at 298 K from the sum of polyhedral contributions. American Mineralogist, 74, 1023-1031.
7. Connolly, J. A. D., 2005. Computation of phase equilibria by linear programming: A tool for geodynamic modelling and its application to subduction zone decarbonation. Earth and Planetary Science Letters, 236, 524-541.
8. Evans, T. P., 2004. A method for calculating effective bulk composition modification due to crystal fractionation in garnet-bearing schist: implications for isopleth thermobarometry. Journal of Metamorphic Geology, 22, 547-557.
9. Garofalo, P., Audétat, A., Günther, Heinrich, C. A. & Ridley, J., 2000. Estimation and testing of standard molar thermodynamic properties of tourmaline end-members using data of natural samples. American Mineralogist, 85, 78-88.
10. Ghiorso, M. S., Hirschmann, M. M., Reiners, P. W. & Kress, V. C., 2002. The pMELTS: A revision of MELTS for improved calculation of phase relations and major element partitioning related to partial melting of the mantle to 3GPa. Geochemistry, Geophysics, Geosystems, 3, 1-36.
11. Hawthorne, F. C., 2002. Bond-valence constraints on the chemical composition of tourmaline. The Canadian Mineralogist, 40, 789-797.
12. Hawthorne, F. C. & Henry, D. J., 1999. Classification of the minerals of the tourmaline group. European Journal of Mineralogy, 11, 203-218.
13. Hawthorne, F. C., MacDonald, D. J. & Burns, P. C., 1993. Reassignment of cation site occupancies in tourmaline: aluminum-magnesium disorder in the crystal structure of dravite. American Mineralogist, 78, 265-270.
14. Hemingway, B. S., Evans, H. T., Mazdab, F. K. & Anovitz, L. M., 1996. Thermal expansion of some borate and borosilicate minerals (fluoborite, danburite, sinhalite, datolite, elbaite, dravite, kornerupine, dumortierite, ferro-axinite, and manganaxinite) between 25 and about 1200°C. USGS Open-file Report 96-100, 15.
15. Henry, D. J. & Dutrow, B. L., 1996. Metamorphic tourmaline and its petrologic applications. In: Boron. Mineralogy, Petrology and Geochemistry (eds Grew, E.S. & Anovitz, L.M.), Reviews in Mineralogy, 33, 503-557.
16. Henry, D. J. & Guidotti, C. V., 1985. Tourmaline as a petrogenetic indicator mineral: An example from the staurolite-grade metapelites of NW Maine. American Mineralogist, 70, 1-15.
17. van Hinsberg, V. J. & Schumacher, J. C., 2007. Intersector element partitioning in tourmaline: A potentially powerful single crystal thermometer. Contributions to Mineralogy and Petrology, 153, 289-301.
18. van Hinsberg, V. J., Vriend, S. P. & Schumacher, J. C., 2005a. A new method to calculate end-member thermodynamic properties of minerals from their constituent polyhedra I: Enthalpy, entropy and molar volume. Journal of Metamorphic Geology, 23, 165-179.
19. van Hinsberg, V. J., Vriend, S. P. & Schumacher, J. C., 2005b. A new method to calculate end-member thermodynamic properties of minerals from their constituent polyhedra II; heat capacity, compressibility and thermal expansion. Journal of Metamorphic Geology, 23, 681-694.
20. Holland, T. J. B., 1989. Dependence of entropy on volume for silicate and oxide minerals: A review and a predictive model. American Mineralogist, 74, 5-13.
21. Holland, T. J. B. & Powell, R., 1998. An internally consistent thermodynamic data set for phases of petrological interest. Journal of Metamorphic Geology, 16, 309-343.
22. Hughes, J. M., Ertl, A., Dyar, M. D. et al., 2000. Tetrahedrally coordinated boron in a tourmaline: Boron-rich olenite from Stoffshutte, Koralpe, Austria. The Canadian Mineralogist, 38, 861-868.
23. Johnson, J. W., Oelkers, E. H. & Helgeson, H. C., 1992. SupCrt92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000°C. Computers and Geosciences, 18, 899-947.
24. Kawakami, T., 2001. Boron depletion controlled by the breakdown of tourmaline in the migmatite zone of the Aoyama area, Ryoke metamorphic belt, southwestern Japan. The Canadian Mineralogist, 39, 1529-1546.
25. Kuyunko, N. S., Semenov, YuV., Gurevich, V. M., Kuz'min, V. I., Topor, N. D. & Gorbunov, V. E., 1984. Experimental determination of thermodynamic properties of tourmaline-dravite. Geokhimiya, 10, 1458-1465.
26. Montgommery, D. C. & Peck, E. A., 1982. Introduction to Linear Regression Analysis. John Wiley and Sons Inc., London, 504 p.
27. 0.75 ]: A detailed structure analysis. Neues Jahrbuch für Mineralogie, Abhandelungen, 132, 231-241.
28. Morgan, G. B. & London, D., 1989. Experimental reactions of amphibolite with boron-bearing aqueous fluids at 200 MPa: Implications for tourmaline stability and partial melting in mafic rocks. Contributions to Mineralogy and Petrology, 102, 281-297.
29. Ogorodova, L. P., Melchakova, L. V., Kiseleva, I. A. & Peretyazhko, I. S., 2004. Thermodynamics of natural tourmaline-elbaite. Thermochimica Acta, 419, 211-214.
30. Pieczka, A., 1999. Statistical interpretation of structural parameters of tourmaline: The ordering of ions in the octahedral sites. European Journal of Mineralogy, 11, 243-251.
31. Robinson, G. R. & Haas, J. L., 1983. Heat capacity, relative enthalpy, and calorimetric entropy of silicate minerals; an empirical method of prediction. American Mineralogist, 68, 541-553.
32. Shimizu, R. & Ogasawara, T., 2005. Discovery of K-tourmaline in diamond-bearing quartz-rich rock from the Kokchetav Massif, Kazakhstan. Mitteilungen der Österreichischen Mineralogischen Gesellschaft, 150, 141.
33. Shvarov, Y. V., 1999. Algorithmization of the numeric equilibrium modeling of dynamic geochemical processes. Geochemistry International, 37, 571-576.
34. Sverjenski, D. A., Hemley, J. J. & d'Angelo, W. M., 1991. Thermodynamic assessment of hydrothermal alkali feldspar-mica-aluminosilicate equilibria. Geochimica et Cosmochimica Act, 55, 989-1004.
35. 2O-HCl. Mineralogy and Petrology, 69, 161-182.
36. 2O-HCl in hydrothermal solutions and siliceous melts. The Canadian Mineralogist, 37, 1025-1039.
37. 2O-HCl and the distribution of Na between tourmaline and fluid at 300 to 700°C and 100 MPa. Contributions to Mineralogy and Petrology, 141, 160-173.
38. Werding, G. & Schreyer, W., 1996. Experimental studies on borosilicates and selected borates. In: Boron. Mineralogy, Petrology and Geochemistry (eds Grew, E.S. & Anovitz, L.M.), Reviews in Mineralogy, 33, 117-163.
39. 2O (NCKFMASH). Journal of Metamorphic Geology, 19, 139-153.
40. Wolf, M. B. & London, D., 1997. Boron in granitic magmas: Stability of tourmaline in equilibrium with biotite and cordierite. Contributions to Mineralogy and Petrology, 130, 12-30.