Liquid-vapor isotopic fractionation factors of diatomic fluids: A direct comparison between molecular simulation and experiment

Journal of Chemical Physics

Volumn 125, Issue 3, 2006, Pages

  Chialvo, Ariel A ^a   Horita, Juske ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ISOTOPIC FRACTIONATION; KIRKWOOD-WIGNER FREE ENERGY EXPANSION; LIQUID-VAPOR FRACTIONATION FACTORS; MOLECULAR FLUIDS;

APPROXIMATION THEORY; ATOMIC BEAMS; COMPUTER SIMULATION; FREE ENERGY; MOLECULAR DYNAMICS;

FLUID DYNAMICS;

EID: 33746321282     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2215611     Document Type: Article

References (43)

1. G. Jancsó and W. A. Van Hook, Chem. Rev. (Washington, D.C.) 74, 689 (1974);
2. G. Jancsó, L. P. N. Rebelo, and W. A. Van Hook, Chem. Rev. (Washington, D.C.) ibid. 93, 2645 (1993).
3. F. A. Lindemann, Philos. Mag. 38, 173 (1919).
4. H. C. Urey, F. G. Brickwedde, and G. M. Murphy, Phys. Rev. 40, 1 (1932).
5. T. F. Johns, in Proceedings of the International Symposium on Isotope Separation, edited by J. Kistemaker, J. Bigeleisen, and A. O. C. Nier (North-Holland, Amsterdam, 1958), p. 74.
6. E. Ancona, G. Boato, and G. Casanova, Nuovo Cimento 24, 111 (1962).
7. G. Boato, G. Casanova, and A. Levi, J. Chem. Phys. 37, 201 (1962).
8. J. C. G. Calado, F. A. Dias, J. N. C. Lopes, and L. P. N. Rebelo, J. Phys. Chem. B 104, 8735 (2000).
9. J. Bigeleisen and E. Roth, J. Chem. Phys. 35, 68 (1961).
10. J. Bigeleisen and M. G. Mayer, J. Chem. Phys. 15, 261 (1947);
11. J. Bigeleisen, J. Chem. Phys. ibid. 23, 2264 (1955);
12. J. Bigeleisen, J. Chem. Phys. 34, 1485 (1961);
13. J. Chim. Phys. Phys.-Chim. Biol. 60, 35 (1963);
14. J. Chem. Phys. 39, 769 (1963).
15. R. G. Gordon, J. Chem. Phys. 44, 576 (1966).
16. P. G. de Gennes, Physica (Amsterdam) 25, 825 (1959).
17. R. L. Armstrong, S. M. Blumenfeld, and C. G. Gray, Can. J. Phys. 46, 1331 (1968).
18. C. Dreyfus, L. Berreby, and J. Vincent-Geisse, J. Chem. Phys. 68, 2630 (1978).
19. A. A. Chialvo and J. Horita, J. Chem. Phys. 119, 4458 (2003).
20. J. N. Canongia Lopes, A. A. H. Pádua, L. P. N. Rebelo, and J. Bigeleisen, J. Chem. Phys. 118, 5028 (2003).
21. J. G. Kirkwood, Phys. Rev. 44, 31 (1933);
22. E. Wigner, Phys. Rev. ibid. 40, 749 (1932).
23. J. G. Powles and G. Rickayzen, Mol. Phys. 38, 1875 (1979);
24. H. Fredrikze, Mol. Phys. ibid. 43, 489 (1981).
25. M. Bohn, R. Lustig, and J. Fischer, Fluid Phase Equilib. 25, 251 (1986).
26. J. Vrabec, J. Stoll, and H. Hasse, J. Phys. Chem. B 105, 12126 (2001).
27. T. M. Reed and K. E. Gubbins, Applied Statistical Mechanics (Butterworth, Stoneham, 1991).
28. J. M. Haile and S. Gupta, J. Chem. Phys. 79, 3067 (1983).
29. J. Vrabec (private communication), December 2002.
30. A. Z. Panagiotopoulos, Mol. Phys. 61, 813 (1987).
31. B. Smit, Ph.D. thesis, FOM Institute for Atomic and Molecular Physics, Amsterdam, The Netherlands, 1990.
32. R. D. Goodwin, J. Phys. Chem. Ref. Data 14, 849 (1985).
33. N. B. Vargaftik, Handbook of Physical Properties of Liquids and Gases, 2nd ed. (Hemisphere, New York, 1983).
34. W. Groth, H. Ihle, and A. Murrenhoff, Angew. Chem. 68, 644 (1956).
35. G. Boato, G. Scoles, and M. E. Vallauri, Nuovo Cimento 14, 735 (1959);
36. K. Clusius and K. Schleich, Helv. Chim. Acta 41, 1342 (1958);
37. I. Kirshenbaum and H. C. Urey, J. Chem. Phys. 10, 706 (1942).
38. D. Götz, M. W. Lee, and J. Bigeleisen, J. Chem. Phys. 70, 5731 (1979).
39. J. O. Hirschfelder, J. Chem. Phys. 33, 1462 (1960).
40. M. Whittle and J. H. R. Clarke, Mol. Phys. 51, 1253 (1984).
41. D. J. Tildesley, W. B. Streett, and W. A. Steele, Mol. Phys. 39, 1169 (1980).
42. This fact was brought to our attention by Dr. V. B. Polyakov.
43. H. Goldstein, Classical Mechanics, 2nd ed. (Addison-Wesley, Reading, MA, 1981).