Solvation in high-temperature aqueous electrolyte solutions

Journal of Molecular Liquids

Volumn 87, Issue 2, 2000, Pages 233-242

  Chialvo, A A ^a,b   Cummings, P T ^a,b   Simonson, J M ^a   Mesmer, R E ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b University of Tennessee   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROLYTES; ELECTROSTRICTION; IONS; MICROSCOPIC EXAMINATION; SODIUM CHLORIDE; SOLUTIONS; SOLVENT EXTRACTION;

HIGH-TEMPERATURE AQUEOUS ELECTROLYTE SOLUTIONS; SOLVATION;

MOLECULAR DYNAMICS;

EID: 0034274151     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0167-7322(00)00123-9     Document Type: Article

References (31)

1. Modell, M., et al., Supercritical water. Solid Wastes Management, (1982) p. 26-30.
2. Tester, J.W., et al., Supercritical water oxidation technology: Process development and fundamental research, in Emerging Technologies in Hazardous Waste Management III, D.W. Tedder and F.G. Pohland, Editors. 1991, American Chemical Society: Washington, D.C. p. 35.
3. Cowan, D.A. and J.A. Littlechild, High temperature enzymes: Sources of information for engineering protein stability, in Enzyme Technology for Industrial Applications, L.M. Savage, Editor. 1996, IBC Biomedical Library Series. p. 197-237.
4. Cowan, D.A., Hyperthermophilic enzymes: Biochemistry and biotechnology, in Hydrothermal Vents and Processes, G. Society, Editor. 1995, Geological Society Publ. House: London. p. 351-364.
5. Mitton, D.B., J.C. Orzalli, and R.M. Latanision, Corrosion in supercritical water oxidation systems, in Physical Chemistry of Aqueous Systems: Meeting the Needs of Industry, H.J. White, et al., Editors. 1995, Begell House: New York. p. 638-643.
6. Barner, H.E., et al., Supercritical water oxidation: An emerging technology. Journal of Hazardous Materials 31(1992) 1-17.
7. Modell, M., Supercritical-water oxidation, in Standard Handbook of Hazardous Waste Treatment and Disposal, H.M. Freeman, Editor. 1989, McGraw-Hill: New York.
8. Torry, L.A., et al. The effect of salts on hydrolysis in supercritical and near critical water: Reactivity and availability. Journal of Supercritical Fluids 5 (1992) 163-168.
9. Quint, J.R. and R.H. Wood, Thermodynamics of a charged hard-sphere ion in a compressible dielectric fluid. 2. Calculation of the ion-solvent pair correlation function, the excess solvation, the dielectric constant near the ion, and the partial molar volume of the ion in a water-like fluid above the critical point. Journal of Physical Chemistry 89 (1985) 380-384.
10. Wood, R.H., et al., Aqueous electrolytes at high temperatures: Comparison of experiment with simulation and continuum models. Journal of Chemical Thermodynamics 26 (1994) 225-249.
11. Conway, B.E., Ionic Hydration in Chemistry and Biophysics. 1981, Amsterdam: Elsevier.
12. Pitzer, K.S., Ed. Activity Coefficients in Electrolyte Solutions.. 1991, CRC Press: Boca Raton.
13. Pitzer, K.S., Thermodynamics. 3rd Ed. 1995, New York: McGraw-Hill.
14. Chialvo, A.A. and P.T. Cummings, Solute-induced effects on the structure and the thermodynamics of infinitely dilute mixtures. AICHE J. 40 (1994) 1558-1573.
15. Chialvo, A.A. and P.T. Cummings, Comments on "Near critical phase behavior of dilute mixtures". Molecular Physics 84 (1995) 41-48.
16. Chialvo, A.A., et al., Solvation in high-temperature electrolyte solutions. II. Some formal results. Journal of Chemical Physics 110 (1999) 1075-1086.
17. Sedlbauer, J., E.M. Yezdimer, and R.H. Wood, Partial molar volumes at infinite dilution in aqueous solutions of NaCl, LiCl, NaBr, and CsBr at temperatures from 550K to 725K. Journal of Chemical Thermodynamics 30 (1998) 3-12.
18. Chialvo, A.A., Determination of excess gibbs free energy from computer simulation via the single charging-integral approach. I. Theory. Journal of Chemical Physics 92 (1990) 673-679.
19. Chialvo, A.A., Accurate calculation of excess thermal, infinite dilution, and related properties of liquid mixtures via molecular-based simulation. Fluid Phase Equilibria 83 (1993) 23-32.
20. Kirkwood, J.G., Statistical mechanics of fluid mixtures. Journal of Chemical Physics 3 (1935) 300-313.
21. Kirkwood, J.G. and F.P. Buff, The statistical mechanical theory of solution. I. Journal of Chemical Physics 19 (1951) 774-777.
22. Kusalik, P.G. and G.N. Patey, The thermodynamic properties of electrolyte solutions: Some formal results. Journal of Chemical Physics 86 (1987) 5110-5116.
23. O'Connell, J.P., Thermodynamic properties of mixtures from fluctuation theory, in Fluctuation Theory of Mixtures, E. Matteoli and G.A. Mansoori, Editors. 1990, Taylor and Francis: New York. p. 45-67.
24. Levelt Sengers, J.M.H., Solubility near the solvent's critical point. Journal of Supercritical Fluids 4 (1991) 215-222.
25. Levelt Sengers, J.M.H., Thermodynamics of solutions near the solvent's critical point, in Supercritical Fluid Technology, T.J. Bruno and J.F. Ely, Editors. 1991a, CRC Press: Boca Raton. p. 1-56.
26. Conway, B.E., Individual solvated ion properties and specificity of ion adsorption effects in processes at electrodes. Chemical Society Reviews 21 (1992) 253-261.
27. Kusalik, P.G. and G.N. Patey, On the molecular theory of aqueous electrolyte solutions. II. Structural and thermodynamic properties of different models at infinite dilution. Journal of Chemical Physics 89 (1988) 5845-5851.
28. Gruszkiewicz, M.S. and R.H. Wood, Conductance of LiCl, NaCl, NaBr, and CsBr solutions in supercritical water using a flow conductance cell. Journal of Physical Chemistry B 101 (1997) 6549-6559.
29. Chialvo, A.A., P.T. Cummings, and Y.V. Kalyuzhnyi, Solvation effects on kinetic rate constant of reactions in supercritical solvents. AICHE J. 44 (1998) 667-680.
30. Debenedetti, P.G. and R.S. Mohamed, Attractive, weakly attractive and repulsive near-critical systems. Journal of Chemical Physics 90 (1989) 4528-4536.
31. Magini, M., et al., X-ray Diffraction of Ions in Aqueous Solutions: Hydration and Complex Formation. 1988, Boca Raton: CRC Press, Inc.