EQMIN, a microsoft® excel© spreadsheet to perform thermodynamic calculations: A didactic approach

Computers and Geosciences

Volumn 22, Issue 6, 1996, Pages 639-650

  Delgado Martín, Jordi ^a,b  

^a UNIVERSITY OF A CORUÑA   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Mineralogy; Petrology; Phase equilibria; Spreadsheet; Thermodynamics

Indexed keywords

COMPUTER PROGRAM; MINERALOGY; PETROLOGY; PHASE EQUILIBRIUM; SPREADSHEET; THERMODYNAMICS;

EID: 0029750058     PISSN: 00983004     EISSN: None     Source Type: Journal    
DOI: 10.1016/0098-3004(96)00006-4     Document Type: Article

References (39)

1. 2 (CFAST): implications for garnet mixing models: Jour. Geology, v. 95, no. 5, p. 633-645.
2. 12: Geochim. Cosmochim. Acta, v. 57, no. 17, p. 4191-4204.
3. 2: Jour. Petrology, v. 29, no. 2, p. 445-522.
4. Berman, R. G., 1991, Thermobarometry using multi-equilibrium calculations: a new technique, with petrological applications: Can. Mineralogist, v. 29, no. 4, p. 833-855.
5. Birch, F., 1966, Compressibility: elastic constants, in Clark, S. P. Jr, ed., Handbook of physical constants: Geol. Soc. Am. Mem. 97, p. 97-173.
6. Brace, W. F., Scholz, C. H., and La Mori, P. N., 1969, Isothermal compressibilities of kyanite, andalusite, and sillimanite from synthetic aggregates: Jour. Geophys. Res., v. 74, p. 2089-2098.
7. Brown, T. H., Berman, R. G., and Perkins, E. H., 1989, PTA-SYSTEM: A GeO-Calc software package for the calculation and display of activity-temperature-pressure phase diagrams: Am. Mineralogist, v. 74, no. 3-4, p. 485-487.
8. Chase, M. W. Jr, Davies, C. A., Downey, J. R. Jr, Frurip, D. J., McDonald, R. A., and Syverud, A. N., 1985, JANAF thermochemical tables (3rd ed.): Jour. Phys. Chem. Ref. Data, v. 14-1, 1856 p.
9. Christie, D. M., and Langmuir, C. H., 1994, Automated XY plots from Microsoft Excel: Computers & Geosciences, v. 20, no. 1, p. 47-52.
10. Connolly, J. A. D., 1990, Multivariate phase diagrams: an algorithm based on generalized thermodynamics: Am. Jour. Sci., v. 290, no. 6, p. 666-718.
11. Cox, J. D., 1979, Manual of symbols and terminology for physicochemical quantities and units. Appendix IV: Notation for states and processes, significance of the word standard in chemical thermodynamics, and remarks on functions used in thermodynamic tables: Pure and Applied Chemistry, v. 51, p. 393-403.
12. Delgado, J., 1995, An integrated thermodynamic model for sphalerite geobarometry from 300 to 800°C and up to 10,000 bar (abst.): Boletín Soc. Española Mineral., v. 18, no. 2, p. 41-42.
13. Engi, M., 1992, Thermodynamic data for minerals: a critical assessment, in Price, G. D., and Ross, N. L., eds., the stability of minerals: Mineralogical Society Series, Chapman & Hall, London, p. 267-328.
14. Froese, E., and Gunter, A. E., 1976, A note on the pyrrhotite-sulfur vapor equilibrium: Econ. Geology, v. 71, no. 8, p. 1589-1594.
15. Goldsmith, J. R., 1980, The melting reactions of anorthite at high pressures and temperatures: Am. Mineralogist, v. 65, no. 3-4, p. 272-284.
16. 2O phases by linear parametric programming: Contrib. Mineral. Petrol., v. 88, no. 1-2, p. 14-23.
17. Helgeson, H. C., Delany, J. M., Nesbitt, H. W., and Bird, D. K., 1978, Summary and critique of the thermodynamic properties of rock-forming minerals: Am. Jour. Sci., v. 278-A, 229 p.
18. 5 phase diagram: Am. Mineralogist, v. 76, no. 9-10, p. 1597-1613.
19. 2: Jour. Metamorphic Geology, v. 8, no. 1, p. 89-124.
20. Johnson, J. W., Oelkers, E. H., and 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 O to 1000°C: Computers & Geosciences, v. 18, no. 7, p. 899-947.
21. 2 mixtures at elevated pressures and temperatures: Am. Jour. Sci., v. 281, no. 6, p. 735-767.
22. 5-quartz geobarometer: Am. Mineralogist, v. 73, no. 3-4, p. 216-223.
23. Kretz, R., 1983, Symbols for rock-forming minerals: Am. Mineralogist, v. 68, no. 2, p. 277-279.
24. Metz, G. W., Anovitz, L. M., Essene, E. J., Bohlen, S. R., Westrum, E. F. Jr, and Wall, V. J., 1983, The heat capacity and phase equilibria of almandine (abst.): EOS. Trans. Am. Geophys. Union, v. 64, p. 347.
25. Moecher, D. P., Essene, E. J., and Anovitz, L. M., 1988, Calculation and application of clinopyroxene-garnet-plagioclase-quartz geobarometers: Contrib. Mineral. Petrol., v. 100, no. 1, p. 92-106.
26. Parkhurst, D. L., Thorstenson, D. C., and Plummer, L. N., 1980, PHREEQE: a computer program for geochemical calculations: U.S. Geol. Survey Water Resources Invest. Rept., no. 80-96, 210 p.
27. Perkins, D., Essene, E. J., and Wall, V. J., 1987, THERMO: a computer program for calculation of mixed-volatile equilibria: Am. Mineralogist, v. 72, no. 3-4, p. 446-447.
28. Perkins, E. H., Brown, T. H., and Berman, R. G., 1986, PT-SYSTEM, TX-SYSTEM, PX-SYSTEM: three programs which calculate pressure-temperature-composition phase diagrams: Computers & Geosciences, v. 12, no. 6, p. 749-755.
29. Powell, R., and Holland, T. J. B., 1985, An internally consistent thermodynamic dataset with uncertainties and correlations: 1. Methods and a worked example: Jour. Metamorphic Geology, v. 3, no. 4, p. 327-342.
30. Reed, M. H., and Spycher, N. F., 1988, Chemical modeling of boiling, condensation, fluid-fluid mixing and water-rock reaction using programs CHILLER and SOLVEQ (abst.): Am. Chemical Soc. National Meeting, 1976th (Los Angeles, California) Sept. 25-30, abstract no. 26.
31. 5 triple point: Am. Mineralogist, v. 69, no. 3-4, p. 298-306.
32. 5 pascals) and at higher temperatures: U.S. Geol. Survey Bull. 1452, 456 p.
33. 2 systems, with special emphasis on the properties of basalts and their mineral components: U.S. Geol. Survey Open-File Rept. 83-79, 429 p.
34. Saxena, S. K., Chatterjee, N., Fei, Y., and Shen, G., 1993, Thermodynamic data on oxides and silicates: an assessed data set based on thermochemistry and high pressure phase equilibrium: Springer-Verlag, Berlin, 428 p.
35. Sidder, G. B., 1994, PETRO.CALC.PLOT, Microsoft EXCEL macros to aid petrologic interpretation: Computers & Geosciences, v. 20, no. 6, p. 1041-1061.
36. Skinner, B. J., 1966, Thermal expansion, in Clark, S. P. Jr, ed., Handbook of Physical Constants: Geol. Soc. Am. Mem. 97, p. 75-96.
37. 5 and the garnets: Br. Ceram. Trans. Jour., v. 86, no. 1, p. 148-153.
38. Wang, H., and Simmons, G., 1972, Elasticity of some mantle crystal structures: I. Pleonaste and hercynite spinel: Jour. Geophys. Res., v. 77, p. 4379-4392.
39. Wolery, T. J., Jackson, K. J., Bourcier, W. L., Bruton, C. J., Viani, B. E., Knauss, K. G., and Delany, J. M., 1990, Current status of the EQ3/6 software package for geochemical modeling, in Melchior, D. C., and Basset, R. L., eds., Chemical Modeling of Aqueous Systems: Am. Chem. Soc. Symposium Series, v. 2, no. 416, p. 104-116.