Infinite dilution partial molar properties of aqueous solutions of nonelectrolytes. I. Equations for partial molar volumes at infinite dilution and standard thermodynamic functions of hydration of volatile nonelectrolytes over wide ranges of conditions

Geochimica et Cosmochimica Acta

Volumn 64, Issue 3, 2000, Pages 495-512

  Plyasunov, Andrey V ^a   O'Connell, John P ^b   Wood, Robert H ^c  

^a INSTITUTE OF EXPERIMENTAL MINERALOGY   (Russian Federation)

^b University of Virginia   (United States)

^c UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTION; EQUATION OF STATE; THERMODYNAMICS;

EID: 0034037846     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0016-7037(99)00322-1     Document Type: Article

References (90)

1. Abdulagatov I.M., Bazaev A.R., Gasanov R.K., Ramazanova A.E. Measurements of the (p, ρ, T) properties and virial coefficients of pure water, methane, n-hexane, n-octane, benzene, and of their aqueous mixtures in the supercritical region. J. Chem. Thermodyn. 28:1996;1037-1057.
2. 2O-gas binary systems by means of the Redlich-Kwong equation over a wide range of parameters of state. Geochem. Intern. 35:1997;188-196.
3. Alexander D.M. Apparent molar volumes of alcohols in dilute aqueous solution. J. Chem. Eng. Data. 4:1959;252-254.
4. 0 for ionization of acetic acid and for dissociation of ammonium ion . J. Chem. Thermodyn. 13:1981;155-164.
5. Barbero J.A., Hepler L.G., McCurdy K.G. Thermodynamics of aqueous carbon dioxide and sulfur dioxide Heat capacities, volumes, and the temperature dependence of ionization . Can. J. Chem. 61:1983;2509-2519.
6. 2S ionization . Can. J. Chem. 60:1982;1872-1880.
7. Belonoshko A.B., Saxena S.K. A unified equation of state for fluids of C-H-O-N-S-Ar composition and their mixtures up to very high temperatures and pressures. Geochim. Cosmochim. Acta. 56:1992;3611-3626.
8. Belonoshko A.B., Shi P., Saxena S.K. SUPERFLUID A FORTRAN-77 program for calculation of Gibbs free energy and volumes of C-H-O-N-S-Ar mixtures . Comput. Geosci. 18:1992;1267-1269.
9. Biggerstaff D.R., Wood R.H. Apparent molar volumes of aqueous argon, ethylene, and xenon from 300 to 716 K. J. Phys. Chem. 92:1988;1988-1994.
10. Brelvi S.W., O'Connell J.P. Corresponding states correlations for liquid compressibility and partial molal volumes of gases at infinite dilution in liquids. AIChE. J. 18:1972;1239-1243.
11. Cabani S., Gianni P., Mollica V., Lepori L. Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution. J. Solut. Chem. 10:1981;563-595.
12. Coan C.R., King A.D. Solubility of water in compressed carbon dioxide, nitrous oxide, and ethane. Evidence for hydration of carbon dioxide and nitrous oxide in the gas phase. J. Am. Chem. Soc. 93:1971;1857-1862.
13. Cooney W.R., O'Connell J.P. Correlation of partial molar volumes at infinite dilution of salts in water. Chem. Eng. Commun. 56:1987;341-349.
14. Cox J.D., Wagman D.D., Medvedev V.A. CODATA Key Values for Thermodynamics. 1989;HPC.
15. Criss C.M., Wood R.H. Apparent molar volumes of aqueous solutions of some organic solutes at the pressure 28 MPa and temperatures to 598 K. J. Chem. Thermodyn. 28:1997;723-741.
16. 2 at infinite dilution, and excess molar volumes. J. Chem. Thermodyn. 22:1990;231-243.
17. Domalski E.S., Hearing E.D. Estimation of the thermodynamic properties of C-H-N-O-S-halogen compounds at 298.15 K. J. Phys. Chem. Ref. Data. 22:1993;805-1160.
18. Dymond J.H., Smith E.B. The Virial Coefficients of Pure Gases and Mixtures. A Critical Compilation. 1980;Clarendon.
19. Edwards T.J., Maurer G., Newman J., Prausnitz J.M. Vapor-liquid equilibria in multicomponent aqueous solutions of volatile weak electrolytes. AIChE. J. 24:1978;966-976.
20. Eubank P.T., Joffrion L.L., Patel M.R., Warowny W. Experimental densities and virial coefficients for steam from 348 to 498 K with correction for adsorption effects. J. Chem. Thermodyn. 20:1988;2009-2034.
21. Fernandez-Prini R., Japas M.L. Application of a hard-sphere perturbation equation to calculate the heat capacity of argon in water over a wide temperature range. J. Phys. Chem. 90:1986;1395-1396.
22. Fournier R.O., Potter R.W. II. An equation correlating solubility of quartz in water from 25° to 900°C at pressures up to 10,000 bars. Geochim. Cosmochim. Acta. 46:1982;1969-1973.
23. Friedman M.E., Scheraga H.A. Volume changes in hydrocarbon-water systems. Partial molal volumes of alcohol-ater solutions. J. Phys. Chem. 69:1965;3795-3800.
24. 2. J. Phys. Chem. Ref. Data. 22:1993;431-513.
25. 2. NIST Technical Note 1404.
26. Harvey A.H., Levelt Sengers J.M.H., Tanger J.C. IV. Unified description of infinite-dilution thermodynamic properties for aqueous species. J. Phys. Chem. 95:1991;932-937.
27. Hayden J.G., O'Connell J.P. A generalized method for predicting second virial coefficients. Ind. Eng. Chem., Process Des. Dev. 14:1975;209-216.
28. 2O. J. Phys. Chem. Ref. Data 19, 1233-127.
29. Hirschfelder J.O., Curtiss C.F., Bird R.B. Molecular Theory of Gases and Liquids. 1954;Wiley.
30. Hnedkovsky L. (1994) Densities and heat capacities of dilute aqueous solutions of nonelectrolytes at high temperatures and high pressures. Ph.D. Dissertation, Inst. of Chem. Technol., Prague, Czech Republic.
31. 3(aq) at temperatures from 298.15 K to 705 K and at pressures to 35 MPa. J. Chem. Thermodyn. 27:1995;801-814.
32. 3 at temperatures from 298.15 K to 705 K and pressures to 35 MPa. J. Chem. Thermodyn. 28:1996;125-142.
33. 3 at temperatures from 304 K to 704 K at 28 MPa. J. Chem. Thermodyn. 29:1997;731-747.
34. Hoiland H. Partial molal volumes, expansibilities, and compressibilities for aqueous alcohol solutions between 5°C and 40°C. J. Solut. Chem. 9:1980;857-866.
35. Huang Y.-H., O'Connell J.P. Corresponding states correlation for the volumetric properties of compressed liquids and liquid mixtures. Fluid Phase Equil. 37:1987;75-84.
36. 4 . Geochim. Cosmochim. Acta. 45:1981;607-614.
37. Johnson J.W., Oelkers E.H., Helgeson H.C. 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 . Comput. Geosci. 18:1992;899-947.
38. Kaulgud M.V., Bhagde V.S., Shrivastava A. Effect of temperature on the limiting excess volumes of amines in aqueous solution. J. Chem. Soc., Faraday Trans. 1. 78:1982;313-321.
39. 2O water vapour. Pichal M., Sifner O. Properties of Water and Steam. Proceedings of the 11th International Conference. 1989;99-102 HPC.
40. Kirkwood J.G., Buff F.P. The statistical mechanical theory of solutions. I. J. Chem. Phys. 19:1951;774-782.
41. 2S. Geochim. Cosmochim. Acta. 53:1989;2143-2155.
42. Kishima N., Sakai H. Fugacity-concentration relationship of dilute hydrogen in water at elevated temperature and pressure. Earth Planet. Sci. Lett. 67:1984;79-86.
43. LeFevre E.J., Nightingale M.R., Rose J.W. The second virial coefficient of ordinary water substance A new correlation . J. Mech. Eng. Sci. 17:1975;243-251.
44. Levelt Sengers J. M. H. (1991) Thermodynamics of solutions near the solvents critical point. In Supercritical Fluid Technology: Reviews in Modern Theory and Applications (eds. Th. J. Bruno and J. F. Fly), pp. 1-56, CRC.
45. Levelt Sengers J.M.H. Solubility near the solvent's critical point. J. Supercrit. Fluids. 4:1991;215-222.
46. -3 using molecular dynamic simulations. J. Phys. Chem. 100:1996;16399-16409.
47. Lown D.A., Thirsk H.R., Lord Wynne-Jones. Temperature and pressure dependence of the volume ofionization ofacetic acid in water from 25 to 225°C and 1 to 3000 bars. Trans. Faraday Soc. 66:1970;51-73.
48. Makhatadze G.I., Privalov P.L. Partial specific heat capacity of benzene and of toluene in aqueous solutions determined calorimetrically for a broad temperature range. J. Chem. Thermodyn. 20:1988;405-412.
49. Makhatadze G.I., Privalov P.L. Heat capacity of alcohols in aqueous solutions in the temperature range from 5 to 125°C. J. Solut. Chem. 18:1989;927-936.
50. Makhatadze G.I., Medvedkin V.N., Privalov P.L. Partial molar volumes of polypeptides and their constituent groups in aqueous solution over a broad temperature range. Biopolymers. 30:1990;1001-1010.
51. 2O in the lower crust and upper mantle. Geochim. Cosmochim. Acta. 58:1994;4831-4839.
52. Mansoori G.A., Carnahan N.F., Starling K.E., Leland T.W. Jr. Equilibrium thermodynamic properties of the mixture of hard spheres. J. Chem. Phys. 54:1971;1523-1525.
53. McQuarrie D.A. Statistical Mechanics. 1976;Harper & Row.
54. Mesmer R.E., Patterson C.S., Busey R.H., Holmes H.F. Ionization of acetic acid in NaCl(aq) media A potentiometric study to 573 K and 130 bar . J. Phys. Chem. 93:1989;7483-7490.
55. Moore J.C., Battino T., Rettich T.R., Handa Y.P., Wilhelm E. Partial molar volumes of gases at infinite dilution in water at 298.15 K. J. Chem. Eng. Data. 27:1982;22-24.
56. Muccitelli J., Wen W.-Y. Solubilities of hydrogen and deuterium gases in water and their isotope fractionation factor. J. Solut. Chem. 7:1978;257-267.
57. O'Connell J.P. Thermodynamic properties of mixtures from fluctuation solution theory. Matteoli E., Mansoori G.A. Fluctuation Theory of Mixtures. 1990;45-67 Taylor & Francis.
58. O'Connell J. P. (1994) Thermodynamic and Fluctuation Solution Theory with some applications to systems at near- or supercritical conditions. In Supercritical Fluids: Fundamentals for Application (eds. E. Kiran and J. M. H. Levelt Sengers). NATO ASI Series Applied Sciences, Vol. 273, p. 191-229.
59. O'Connell J.P. Application of fluctuation solution theory to thermodynamic properties of solutions. Fluid Phase Equilibria. 104:1995;21-39.
60. O'Connell J.P., Sharygin A.V., Wood R.H. Infinite dilution partial molar volumes of aqueous solutes over wide ranges of conditions. Ind. Eng. Chem. Research. 35:1996;2808-2812.
61. Patel M.R., Holste J.C., Hall K.R., Eubank P.T. Thermophysical properties of gaseous carbon dioxide-water mixtures. Fluid Phase Equil. 36:1987;279-299.
62. Pierotti R.A. A scaled particle theory of aqueous and nonaqueous solutions. Chem. Rev. 76:1976;717-726.
63. Pitzer K.S. Thermodynamics. Third Ed. 1995;McGraw-Hill.
64. Plyasunov A.V. Estimation of the Henry constants of apolar gases at temperatures above the critical temperature of water. Dokl. Akad. Nauk. 321:1991;1071-1074. (in Russian).
65. Plyasunova N.V., Ivanov I.P. The concentration of sulfur in solution in equilibrium with the pyrite-magnetite-hematite and pyrite-magnetite-pyrrhotite buffer assemblages at 350-500°C and 1 kbar. Geochem. Int. 28:1991;52-60.
66. Reid R.C., Prausnitz J.M., Poling B.E. The Properties of Gases and Liquids. 1987;McGraw-Hill.
67. Rigby M., Prausnitz J.M. Solubility of water in compressed nitrogen, argon, and methane. J. Phys. Chem. 72:1968;330-334.
68. Sakurai M. Partial molar volumes in aqueous mixtures of nonelectrolytes. IV. Aromatic hydrocarbons. Bull. Chem. Soc. Jpn. 63:1990;1695-1699.
69. Sakurai M., Nakamura K., Nitta K. Volumetric properties of dilute aqueous alcohol solutions at different temperatures. Bull. Chem. Soc. Jpn. 67:1994;1580-1587.
70. Sedlbauer J., O'Connell J. P., and Wood R. H. (1999) Equation of state for correlation and prediction of partial molar volumes, heat capacities, enthalpies and Gibbs energies at infinite dilution of aqueous electrolytes and nonelectrolytes. Chemical Geology, in press.
71. Seidel A. Solubilities of Organic Compounds. 1941;Van Nostrand.
72. Seidel A. and Linke W. F. (1952) Solubilities of Inorganic and Organic Compounds. Supplement to the third Ed. Van Nostrand.
73. Sharygin A.V., Inglese A., Sedlbauer J., Wood R.H. Apparent molar heat capacities of aqueous solutions of phosphoric acid and sulfur dioxide at temperatures from 303 K to 623 K and a pressure of 28 MPa. J. Solut. Chem. 26:1997;183-197.
74. Shock E.L., Helgeson H.C. Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures Standard partial molal properties of organic species . Geochim. Cosmochim. Acta. 54:1990;915-945.
75. Shock E.L., Helgeson H.C., Sverjensky D.A. Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures Standard partial molal properties of inorganic neutral species . Geochim. Cosmochim. Acta. 53:1989;2157-2183.
76. Shock E.L., Oelkers E.H., Johnson J.W., Sverjensky D.A., Helgeson H.C. Calculation of the thermodynamic properties of aqueous species at high pressures and temperatures. J. Chem. Soc. Faraday Trans. 88:1992;803-826.
77. Shock E.L., Sassani D.C., Willis M., Sverjensky D.A. Inorganic species in geologic fluids Correlation among standard molal thermodynamic properties of aqueous ions and hydroxide complexes . Geochim. Cosmochim. Acta. 61:1997;907-950.
78. Stull D. R. and Proohet H. (1971) JANAF Thermochemical Tables. NSRDS-NBS 37.
79. Tanger J.C., Helgeson H.C. Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures Revised equations of state for the standard partial molal properties of ions and electrolytes . Am. J. Sci. 288:1988;19-98.
80. Tiepel E.W., Gubbins K.E. Partial molal volumes of gases dissolved in electrolyte solutions. J. Phys. Chem. 76:1972;3044-3049.
81. Tremaine P.R., Shvedov D., Xiao C. Thermodynamic properties of aqueous morpholine and morpholinium chloride at temperatures from 10 to 300°C apparent molar volumes, heat capacities, and temperature dependence of ionization . J. Phys. Chem. B. 101:1997;409-419.
82. Tsonopoulos C. An empirical correlation of second virial coefficients. AIChE. J. 20:1974;263-272.
83. Tsonopoulos C. Second virial coefficients of water pollutants. AIChE. J. 24:1978;1112-1115.
84. Tsonopoulos C., Heidman J.L. From the virial to the cubic equation of state. Fluid Phase Equil. 57:1990;261-276.
85. 2 organic substances in SI units. J. Phys. Chem. Refer. Data11, Suppl. No. 2.
86. Wilhelm E., Battino R. Estimation of Lennard-Jones (6, 12) pair potential parameters from gas solubility data. J. Chem. Phys. 55:1971;4012-4017.
87. Wilhelm E., Battino R., Wilcock R.J. Low-pressure solubility of gases in liquid water. Chem. Rev. 77:1977;219-262.
88. Wormald C.J., Lancaster N.M. Excess enthalpies and cross-term second virial coefficients for mixtures containing water vapour. J. Chem. Soc., Faraday Trans. I. 84:1988;3141-3158.
89. Wormald C.J., Lancaster N.M., Sowden C.J. Excess molar enthalpy and second virial cross-coefficients for (benzene-water)(g) and (cyclohexane-water)(g). J. Chem. Soc., Faraday Trans. 93:1997;1921-1926.
90. Xiao C., Bianchi H., Tremaine P.R. Excess molar volumes and densities of (methanol + water) at temperatures between 323 and 573 K and pressures of 0.7 and 13.5 MPa. J. Chem. Thermodyn. 29:1997;261-286.