Low-temperature thermodynamic model for the system Na2CO3-MgCO3-CaCO3-H2O

Geochimica et Cosmochimica Acta

Volumn 63, Issue 19-20, 1999, Pages 3105-3119

  Königsberger, Erich ^a   Königsberger, Lan Chi ^a   Gamsjäger, Heinz ^a  

^a Abteilung fur Physikalische Chemie   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTION; CARBONATE; THERMODYNAMICS;

EID: 0343920795     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0016-7037(99)00238-0     Document Type: Article

References (107)

1. Auerbach F. Über Kalium-Magnesiumkarbonat. Z. Elektrochem. 10:1904;161-169.
2. Bale C.W., Pelton A.D. The Unified Interaction Parameter Formalism Thermodynamic consistency and applications . Met. Trans. A. 21A:1990;1997-2002.
3. Barin I., Knacke O. Thermochemical Properties of Inorganic Substances. 1973;Springer-Verlag.
4. 2O(s) . J. Chem. Thermodynamics. 10:1978;1113-1136.
5. Bezboruah C.P., Camoes M.F.G.F.C., Covington A.K., Dobson J.V. Enthalpy of ionization of water from electro-motive force measurements. Faraday Trans. I. 69:1973;949-962.
6. Bischoff W.D. Dissolution enthalpies of magnesian calcites. Aquatic Geochem. 4:1998;321-336.
7. 2O from 0° to 25°C Environmental and paleoclimatic implications for thinolite tufa . J. Geol. 101:1993;21-33.
8. Bischoff W.D., Mackenzie F.T., Bischop F.C. Stabilities of synthetic magnesian calcites in aqueous solution Comparison with biogenic materials . Geochim. Cosmochim. Acta. 51:1987;1414-1423.
9. Brown P. L., Drummond S. E., Jr. and Palmer D. A. (1996) Hydrolysis of magnesium(II) at elevated temperatures. J. Chem. Soc., Dalton Trans., 3071-3075.
10. Bury C.R., Redd R. The system sodium carbonate-calcium carbonate-water. J. Chem. Soc. London. 1933;1160-1162.
11. Busenberg E., Plummer L.N. Thermodynamics of magnesian calcite solid-solutions at 25°C and 1 atm total pressure. Geochim. Cosmochim. Acta. 53:1989;1189-1208.
12. 2O (II) The activity-product constant of magnesite . Am. J. Sci. 268:1970;439-453.
13. Clarkson J.R., Price T.J., Adams C.J. Role of metastable phases in the spontaneous precipitation of calcium carbonate. J. Chem. Soc. Faraday Trans. 88:1992;243-249.
14. Covington A.K., Ferra M.I.A., Robinson R.A. Ionic product and enthalpy of ionization of water from electromotive force measurements. Faraday Trans. I. 73:1977;1721-1730.
15. Cox J.D., Wagman D.D., Medvedev V.A. CODATA Key Values for Thermodynamics. 1989;Hemisphere publishing corporation.
16. Criss C.M., Millero F.J. Modeling the heat capacities of aqueous 1-1 electrolyte solutions with Pitzer's equations. J. Phys. Chem. 100:1996;1288-1294.
17. Curry J., Hazelton C.L. The first thermodynamic ionization constant of deuteriocarbonic acid at 25°C. J. Amer. Chem. Soc. 60:1938;2773-2776.
18. Ču̇ta F., Štráfelda F. The second dissociation constant of carbonic acid between 60 and 90°C. Chem. Listy. 48:1954;1308-1313.
19. Davies P.J., Bubela R. The transformation of nesquehonite into hydromagnesite. Chem. Geol. 12:1973;289-300.
20. Desnoyers J.E., de Visser C., Perron G., Picker P. Reexamination of the heat capacities obtained by flow microcalorimetry. Recommendation for the use of a chemical standard. J. Solution Chem. 5:1976;605-616.
21. Ellis A.J., Golding R.M. The solubility of carbon dioxide above 100°C in water and in sodium chloride solutions. Amer. J. Sci. 261:1963;46-60.
22. Eriksson G., Hack K. ChemSage - A computer program for the calculation of complex chemical equilibria. Metall. Trans. B. 21 B:1990;1013-1023.
23. 2O at 25°C. J. Solution Chem. 25:1996;327-343.
24. 2O. In Magnesite; Monograph Series on Mineral Deposits, Vol. 28, pp. 269-285. (ed. P. Möller), Gebrüder Bornträger.
25. Garvin D., Parker V.B., White H.J. Jr. CODATA Thermodynamic Tables. 1987;Springer-Verlag.
26. 2O system to high concentration from 0 to 250°C . Geochim. Cosmochim. Acta. 53:1989;2503-2518.
27. Grenthe I., Plyasunov A.V., Spahiu K. Estimations of medium effects on thermodynamic data. Grenthe I., Puigdomenech I. Modelling in Aquatic Chemistry. 1997;325-426 OECD-NEA.
28. ~sp/tt.
29. Harned H.S., Bonner F.T. The first ionization of carbonic acid in aqueous solutions of sodium chloride. J. Amer. Chem. Soc. 67:1945;1026-1031.
30. - from 0 to 50°C. J. Am. Chem. Soc. 63:1941;1706-1709.
31. 2O system from zero to high concentration at 25°C . Geochim. Cosmochim. Acta. 44:1980;981-997.
32. 2O system to high ionic strengths at 25°C . Geochim. Cosmochim. Acta. 48:1984;723-751.
33. 4 solutions from 0 to 90°C. Geochim. Cosmochim. Acta. 57:1993;3533-3554.
34. 2O. Am. Mineral. 57:1972;1754-1767.
35. 2O, and their standard Gibbs free energies of formation. J. Res. U.S. Geol. Survey. 1:1973;535-541.
36. 3, between 13 and 380 K and their standard entropies at 289.15 K, and the heat capacities of calorimetry conference benzoic acid between 12 and 316 K. J. Res. U. S. Geol. Survey. 5:1977;797-806.
37. Hopkins H.P. Jr, Wulff C.A. The solution thermochemistry of polyvalent electrolytes. I. Calcium hydroxide. J. Phys. Chem. 69:1965;6-8.
38. Horn G. Löslichkeitskonstanten und Freie Bildungsenthalpien von Magnesit, Brucit und Dolomit, ein Beitrag zur Bestimmung thermodynamischer Konstanten. Radex-Rundschau. 1969:1969;439-459.
39. Hostetler P.B. The stability and surface energy of brucite in water at 25°C. Am. J. Sci. 261:1963;238-258.
40. Houghton G., McLean A.M., Ritchie P.D. Compressibility, fugacity, and water-solubility of carbon dioxide in the region 0-36 atm and 0-100°C. Chem. Eng. Sci. 6:1957;132-137.
41. Hull H., Turnbull A.J. A thermochemical study of monohydrocalcite. Geochim. Cosmochim. Acta. 37:1973;685-694.
42. 3). Phys. Chem. Minerals. 7:1981;55-59.
43. Kazakov A.V., Tikhomirova M.M., Plotnikova V.I. The system of carbonate equilibria. Int. Geol. Rev. 1:(10):1959;1-39.
44. Kittrick J.A., Peryea F.J. Determination of the Gibbs free energy of formation of magnesite by solubility methods. Soil Sci. Soc. Am. J. 50:1986;243-247.
45. Kline W.D. The solubility of magnesium carbonate (nesquehonite) in water at 25°C and pressures of carbon dioxide up to one atmosphere. Am. Chem. Soc. J. 51:1929;2093-2097.
46. Königsberger E., Eriksson G. A new optimization routine for ChemSage. CALPHAD. 19:1995;207-214.
47. Königsberger E., Gamsjäger H. Solid-solute phase equilibria in aqueous solution. I. Solubility constant and free enthalpy of formation of huntite. Ber. Bunsenges. Phys. Chem. 91:1987;785-790.
48. Königsberger E., Gamsjäger H. Solid-solute phase equilibria in aqueous solution. VII. A re-interpretation of magnesian calcite stabilities. Geochim. Cosmochim. Acta. 56:1992;4095-4098.
49. Königsberger E., Bugajski J., Gamsjäger H. Solid-solute phase equilibria in aqueous solution II. A potentiometric study of the aragonite-calcite transition . Geochim. Cosmochim. Acta. 53:1989;2807-2810.
50. 2O at 25°C. J. Solution Chem. 21:1992;1195-1261.
51. 2O. J. Geol. 73:1965;730-754.
52. Linke W. F. and Seidell A. (1958) Solubilities. Inorganic and Metal-Organic Compounds, Vol. 1. American Chemical Society.
53. Linke W. F. and Seidell A. (1965) Solubilities. Inorganic and Metal-Organic Compounds, Vol. 2. American Chemical Society.
54. 2 at high temperatures and pressures. Geochemistry. 1959:1959;292-306. (English).
55. Marc R., Šimek A. Über die thermische Dissoziation des Magnesiumkarbonats. Z. anorg. Chem. 82:1913;17-49.
56. + from 10° to 90°C . Am. J. Sci. 275:1975;304-317.
57. Millero F.J. Effects of temperature and pressure on activity coefficients. Pytcowicz R. Activity Coefficients in Electrolyte Solutions. Vol. 2:1979;63-151 CRC Press.
58. Millero F.J., Pierrot D. A chemical equilibrium model for natural waters. Aquatic Geochem. 4:1998;153-199.
59. Ming D.W., Franklin W.T. Synthesis and characterization of lansfordite and nesquehonite. Soil Sci. Soc. Am. J. 49:1985;1303-1308.
60. Monnin C., Schott J. Determination of the solubility products of sodium carbonate minerals and an application to trona deposition in Lake Magadi (Kenya). Geochim. Cosmochim. Acta. 48:1984;571-581.
61. Morrison T.J., Billet F. The salting-out of non-electrolytes. Part II. The effect of variation in non-electrolyte. J. Chem. Soc. 1952;3819-3822.
62. t = 0.697 m at 25°C and one atmosphere total pressure. Geochim. Cosmochim. Acta. 48:1984;815-822.
63. Näsänen R. (1946) Zur Einwirkung der Säure- und Basenzusätze auf die Fällungskurve von Bariumcarbonat. Suomen Kemistilehti, B19, 90, 24-26.
64. Näsänen R. Potentiometric study on the first ionization of carbonic acid in aqueous solutions of sodium chloride. Acta Chem. Scand. 1:1947;204-209.
65. Näsänen R., Merilainen P., Leppanen K. Potentiometric determination of the solubility product of lead carbonate. Acta Chem. Scand. 15:1961;913-918.
66. Navrotsky A., Capobianco C. Enthalpies of formation of dolomite and magnesian calcites. Am. Mineral. 72:1987;782-787.
67. 2O. Geochim. Cosmochim. Acta. 51:1987;2429-2443.
68. 2. Am. Mineral. 58:1973;211-217.
69. Patterson C.S., Slocum G.H., Busey R.H., Mesmer R.E. Carbonate equilibria in hydrothermal systems First ionization of carbonic acid in NaCl media to 300°C . Geochim. Cosmochim. Acta. 46:1982;1653-1663.
70. Patterson C.S., Busey R.H., Mesmer R.E. Second ionization of carbonic acid in NaCl media to 250°C. J. Solution Chem. 13:1984;647-661.
71. Peiper J.C., Pitzer K.S. Thermodynamics of aqueous carbonate solutions including mixtures of sodium carbonate, bicarbonate, and chloride. J. Chem. Thermodynamics. 14:1982;613-638.
72. Phutela R.C., Pitzer K.S., Saluja P.P.S. Thermodynamics of aqueous magnesium chloride, calcium chloride and strontium chloride at elevated temperatures. J. Chem. Eng. Data. 32:1987;76.
73. Pitzer K.S. Thermodynamics of electrolytes. Theoretical basis and general equations. J. Phys. Chem. 77:1973;268-277.
74. Pitzer K. S. (1979) Theory: Ion-interaction approach. In: Activity Coefficients in Electrolyte Solutions, (ed. R. Pytcowicz), Vol. 1, pp. 157-209, CRC Press.
75. Pitzer K.S. Theoretical considerations of solubility with emphasis on mixed electrolytes. Pure Appl. Chem. 58:1986;1599-1610.
76. Pitzer K. S. (1991) Theory: Ion-interaction approach. In: Activity Coefficients in Electrolyte Solutions (ed. K. S. Pitzer), 2nd ed., pp. 75-154. CRC Press.
77. Pitzer K.S., Olsen J., Simonsen J.M., Roy R.N., Gibbons J.J., Rowe L. Thermodynamics of aqueous magnesium and calcium bicarbonates and mixtures with chloride. J. Chem. Eng. Data. 30:1985;14-17.
78. 2O. Geochim. Cosmochim. Acta. 46:1982;1011-1040.
79. Read A.J. The first ionization constant of carbonic acid from 25 to 250°C and 2000 bar. J. Solution Chem. 4:1975;53-70.
80. 3 from 10 to 50°C. Am. J. Sci. 274:1974;599-612.
81. 2O. PhD thesis, Universität Bern.
82. 2O. Geochim. Cosmochim. Acta. 41:1977;1193-1200.
83. Robie R. A. (1965) Heat and free energy of formation of herzenbergite, troilite, magnesite, and rhodochrosite calculated from equilibrium data. U.S. Geol. Survey Prof. Paper 525D, D65-D72.
84. 2O, and hydromagnesite. Am. Mineral. 57:1972;1768-1781.
85. 2O. J. Res. U.S. Geol. Survey 1, 543-547.
86. 5 Pascals) pressure and at higher temperatures. U.S. Geol. Survey Bull. 2131.
87. Rogers P.S.Z., Pitzer K.S. Volumetric properties of aqueous sodium chloride solutions. J. Phys. Chem. Ref. Data. 11:1982;15-81.
88. 2O at different temperatures; application of Pitzer's equations . J. Solution Chem. 9:1980;911-929.
89. 2O at various temperatures. J. Chem. Soc. Faraday Trans. 78:1982;1405-1422.
90. Ryzhenko B. N. (1963) Determination of dissociation constants of carbonic acid and the degree of hydrolysis of the CO32- and HCO3- ions in solutions of alkali carbonates and bicarbonates at elevated temperatures. Geochemistry No. 2, 151-164.
91. Sass E., Morse J.W., Millero F.J. Dependence of the values of calcite and aragonite thermodynamic solubility products on ionic models. Am. J. Sci. 283:1983;218-229.
92. Saxena S. Systematization and estimation of thermochemical data on silicates. Grenthe I., Puigdomenech I. Modelling in Aquatic Chemistry. 1997;289-323 OECD-NEA.
93. Scharlin P. (ed.) (1996) Carbon dioxide in water and aqueous electrolyte solutions. In: IUPAC Solubility Data Series62, Oxford University Press.
94. Pure Substance Database. 1994;Scientific Group Thermodata Europe.
95. Staveley L.A.K., Linford A.J. The heat capacity and entropy of calcite and aragonite, and their interpretation. J. Chem. Thermodynamics. 1:1969;1-11.
96. Stout J.W., Robie R.A. Heat capacity from 11 to 300°K., entropy, and heat of formation of dolomite. J. Phys. Chem. 67:1963;2248-2252.
97. Stumm W., Morgan J.J. Aquatic Chemistry. Chemical Equilibria and Rates in Natural Waters. 3rd ed. 1996;Wiley.
98. Takahashi G. Investigation on the synthesis of potassium carbonate by Mr. Engel. Bull. Imp. Hyg. Lab. (Tokyo). 29:1927;165-262.
99. Taylor K., Wells L.S. Studies of heat of solution of calcium and magnesium oxides and hydroxides. U.S. Nat. Bur. Stand. J. Res. 21:1938;133-149.
100. Thurmond V., Millero F.J. Ionization of carbonic acid in sodium chloride solutions at 25°C. J. Solution Chem. 11:1982;447-456.
101. 3) . J. Chem. Thermodynamics. 14:1982;219-238.
102. von Knorre G. Über das Magnesiumkarbonat und einige Doppelverbindungen desselben. Z. Anorg. Allg. Chemie. 34:1903;260-285.
103. 4, at 298 K and 1 bar from electrochemical cell measurements. Am. Mineral. 80:1995;355-360.
104. Weiss R.F. Carbon dioxide in water and seawater The solubility of a non-ideal gas . Marine Chem. 2:1974;203-215.
105. 3 phase transitions. J. Thermal Anal. 46:1996;353-359.
106. Wolf G., Königsberger E., Schmidt H. G., Königsberger L.-C. and Gamsjäger H. (1999) Thermodynamic aspects of the vaterite-calcite phase transition. J. Thermal Anal., submitted.
107. 2 partial pressures of about 1 kPa. Chem. Geol. 76:1989;291-301.