Accurate thermodynamic and dielectric equations of state for high-temperature simulated water

Fluid Phase Equilibria

Volumn 277, Issue 2, 2009, Pages 145-151

  Plugatyr, Andriy ^a   Svishchev, Igor M ^a  

^a TRENT UNIVERSITY   (Canada)

Author keywords

Dielectric; EOS; Simulation; Thermodynamic; Water

Indexed keywords

CERAMIC CAPACITORS; DIELECTRIC PROPERTIES; EQUATIONS OF STATE; MOLECULAR DYNAMICS; THERMOCHEMISTRY;

CRITICAL POINTS; CRITICAL REGIONS; DENSITY RANGES; DIELECTRIC; DIELECTRIC CONSTANTS; EOS; EXPERIMENTAL VALUES; HIGH TEMPERATURES; MOLECULAR DYNAMIC SIMULATIONS; PAIR POTENTIALS; PARAMETERIZATIONS; SATURATED LIQUIDS; SIMPLE POINT CHARGES; SIMULATION; SPC/E WATERS; VAPOR DENSITIES; WATER MODELS;

THERMODYNAMICS;

EID: 60649113639     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2008.12.003     Document Type: Article

References (40)

1. Bermejo M.D., and Cocero M.J. AIChE J. 52 (2006) 3933-3951
2. Kruse A., and Dinjus E. J. Supercrit. Fluids 39 (2007) 362-380
3. Kruse A., and Dinjus E. J. Supercrit. Fluids 41 (2007) 361-379
4. Kronholm J., Hartonen K., and Riekkola M. Trac-Trend Anal. Chem. 26 (2007) 396-412
5. Kruse A., and Vogel H. Chem. Eng. Technol. 31 (2008) 1241-1245
6. P. MacDonald, J. Buongiorno, J.W. Sterbentz, C. Davis, R. Witt, Technical Report, Nuclear Energy Research Initiative Project 2001-001, Feasibility Study of Supercritical Light Water Cooled Reactors for Electric Power Production. INEEL/EXT-04-02530.
7. Berendsen H.J.C., Grigera J.R., and Straatsma T.P. J. Phys. Chem. 91 (1987) 6269-6271
8. Guissani Y., and Guillot B. J. Chem. Phys. 98 (1993) 8221-8235
9. Errington J.R., Kiyohara K., Gubbins K.E., and Panagiotopoulos A.Z. Fluid Phase Equilibr. 150-151 (1998) 33-40
10. Alejandre J., Tildesley D.J., and Chapela G.A. J. Chem. Phys. 102 (1995) 4574-4583
11. Boulougouris G.C., Economou I.G., and Theodorou D.N. J. Phys. Chem. B 102 (1998) 1029-1035
12. Errington J.R., and Panagiotopoulos A.Z. J. Phys. Chem. B 102 (1998) 7470-7475
13. Hayward T.M., and Svishchev I.M. Fluid Phase Equilibr. 182 (2001) 65-73
14. Wasserman E., Wood B., and Brodholt J. Ber. Bunsen Phys. Chem. 98 (1994) 906-911
15. Neumann M. Physical chemistry of aqueous systems: meeting the needs of industry. In: White Jr. H.J., Sengers J.V., Neumann D.B., and Bellows J.C. (Eds). Proceedings of the 12th International Conference on the Properties of Water and Steam (1995) 261-268
16. Mountain R., and Wallquist A. NISTIR 5778. (1996)
17. Skaf M.S., and Laria D. J. Chem. Phys. 113 (2000) 3499-3502
18. Guàrdia E., and Martí J. Phys. Rev. E 69 (2004) 011502
19. Pitzer K.S., and Sterner S.M. J. Chem. Phys. 101 (1994) 3111-3116
20. Wagner W., and Pruss A. J. Phys. Chem. Ref. Data 31 (2002) 387-535
21. Span R., and Wagner W. Int. J. Thermophys. 24 (2003) 1-39
22. Span R., and Wagner W. Int. J. Thermophys. 24 (2003) 41-109
23. Span R., and Wagner W. Int. J. Thermophys. 24 (2003) 111-162
24. Kunz O., Klimeck R., Wagner W., and Jaeschke M. The GERG-2004 Wide-Range Equation of State for Natural Gases and Other Mixtures (2007), Fortschr.-Ber. VDI, Düsseldorf
25. Fernandez D.P., Goodwin A.R.H., Lemmon E.W., Sengers J.M.H.L., and Williams R.C. J. Phys. Chem. Ref. Data 26 (1997) 1125-1166
26. Evans D.J., and Morriss O.P. Comput. Phys. Rep. 1 (1984) 297-343
27. Evans D.J. Mol. Phys. 34 (1977) 317
28. Kusalik P.G. J. Chem. Phys. 93 (1990) 3520-3535
29. Neumann M., Steinhauser O., and Pawley G.S. Mol. Phys. 52 (1984) 97-113
30. Svishchev I.M., and Kusalik P.G. J. Phys. Chem. 98 (1994) 728-733
31. Kusalik P.G., Liden F., and Svishchev I.M. J. Chem. Phys. 103 (1995) 10169-10175
32. Panagiotopoulos A.Z. Mol. Phys. 61 (1987) 813-826
33. Panagiotopoulos A.Z., Quirke N., Stapleton M., and Tildesley D.J. Mol. Phys. 63 (1988) 527-545
34. Panagiotopoulos A.Z. J. Phys. -Condes. Mater. 12 (2000) R25-R52
35. Wilding N.B., and Bruce A.D. J. Phys. -Condes. Mater. 4 (1992) 3087-3108
36. Wilding N.B. Phys. Rev. E 52 (1995) 602-611
37. Ferrenberg A.M., and Swendsen R.H. Phys. Rev. Lett. 61 (1988) 2635-2638
38. Wilding N.B., Muller M., and Binder K. J. Chem. Phys. 105 (1996) 802-809
39. Panagiotopoulos A.Z., Wong V., and Floriano M.A. Macromolecules 31 (1998) 912-918
40. Abascal J.L.F., Sanz E., Fernandez R.G., and Vega C. J. Chem. Phys. 122 (2005) 234511