Calculation of the transport properties of carbon dioxide. II. Thermal conductivity and thermomagnetic effects

Journal of Chemical Physics

Volumn 120, Issue 17, 2004, Pages 7987-7997

  Bock, Steffen ^a   Bich, Eckard ^a   Vogel, Eckhard ^a   Dickinson, Alan S ^b   Vesovic, Velisa ^c  

^a UNIVERSITY OF ROSTOCK   (Germany)

^b NEWCASTLE UNIVERSITY   (United Kingdom)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; APPROXIMATION THEORY; DEGREES OF FREEDOM (MECHANICS); MOLECULAR VIBRATIONS; POLARIZATION; POLYNOMIALS; POTENTIAL ENERGY; SURFACE PROPERTIES; THERMAL CONDUCTIVITY; THERMAL EFFECTS;

ANGULAR MOMENTUM; INTERMOLECULAR POTENTIALS; POTENTIAL ENERGY HYPERSURFACES; THERMOMAGNETIC EFFECTS;

CARBON DIOXIDE;

EID: 2442492797     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1687312     Document Type: Article

References (45)

1. S. Bock, E. Bich, E. Vogel, A. S. Dickinson, and V. Vesovic, J. Chem. Phys. 117, 2151 (2002).
2. G. Steinebrunner, A. J. Dyson, B. Kirchner, and H. Huber, J. Chem. Phys. 109, 3153 (1998).
3. R. Bukowski, J. Sadlej, B. Jeziorski, P. Jankowski, K. Szalewicz, S. A. Kucharski, H. L. Williams, and B. M. Rice, J. Chem. Phys. 110, 3785 (1999).
4. S. Bock, E. Bich, and E. Vogel, Chem. Phys. 257, 147 (2000).
5. F. R. W. McCourt, J. J. M. Beenakker, W. E. Köhler, and I. Kuščer, Nonequilibrium Phenomena in Polyatomic Gases (Oxford Science, Oxford, 1991), Vols. 1 and 2.
6. E. Bich, S. Bock, and E. Vogel, Physica A 311, 59 (2002).
7. C. S. Wang Chang, G. E. Uhlenbeck, and J. de Boer, in Studies in Statistical Mechanics, edited by J. de Boer and G. E. Uhlenbeck (Wiley, New York, 1964), Vol. 2.
8. J. H. Ferziger and H. G. Kaper, The Mathematical Theory of Transport Processes in Gases (North-Holland, Amsterdam, 1972).
9. 2-5/2)W, which is opposite in sign to that used in some earlier papers (Refs. 10-12) Our sign convention corresponds to that of van Houten et al. (Ref. 13) and of McCourt et al. (Ref. 5).
10. B. J. Thijsse, W. A. P. Denissen, L. J. F. Hermans, H. F. P. Knaap, and J. J. M. Beenakker, Physica A 97, 467 (1979).
11. B. J. Thijsse, G. W. 't Hooft, D. A. Coombe, H. F. P. Knaap, and J. J. M. Beenakker, Physica A 98, 307 (1979).
12. B. J. Thijsse, G. W. 't Hooft, H. F. P. Knaap, and J. J. M. Beenakker, Physica A 102, 281 (1980).
13. H. van Houten, L. J. F. Hermans, and J. J. M. Beenakker, Physica A 131, 64 (1985).
14. E. L. Heck, A. S. Dickinson, and V. Vesovic, Mol. Phys. 83, 907 (1994).
15. E. L. Heck and A. S. Dickinson, Physica A 217, 107 (1995).
16. G. C. Maitland, M. Mustafa, and W. A. Wakeham, J. Chem. Soc., Faraday Trans. 2 79, 1425 (1983).
17. F. R. W. McCourt and R. F. Snider, J. Chem. Phys. 46, 2387 (1967).
18. L. A. Viehland, E. A. Mason, and S. I. Sandler, J. Chem. Phys. 68, 5277 (1978).
19. C. F. Curtiss, J. Chem. Phys. 75, 1341 (1981).
20. E. L. Heck and A. S. Dickinson, Mol. Phys. 81, 1325 (1994).
21. A. Tip, Physica (Amsterdam) 37, 82 (1967).
22. 12 is consistent with our Eqs. (17) and (18). However, earlier work by the Leiden group (Refs. 10-12) used a definition differing by a factor of 2. The usage here is identical with that employed by Refs. (5) and (13).
23. W. E. Köhler and H. F. P. Knaap, Z. Naturforsch. A 31, 1485 (1976).
24. E. L. Heck and A. S. Dickinson, Comput. Phys. Commun. 95, 190 (1996).
25. See EPAPS Document No. E-JCPSA6-12-001416 for electronic files that contain these tables. This document may be retrieved via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
26. G. C. Maitland, M. Rigby, E. B. Smith, and W. A. Wakeham, Intermolecular Forces. Their Origin and Determination (Clarendon Press, Oxford, 1987).
27. J. Kestin, K. Knierim, E. A. Mason, B. Najafi, S. T. Ro, and M. Waldman, J. Phys. Chem. Ref. Data 13, 229 (1984).
28. V. Vesovic, W. A. Wakeham, G. A. Olchowy, J. V. Sengers, J. T. R. Watson, and J. Millat, J. Phys. Chem. Ref. Data 19, 763 (1990).
29. A. A. Clifford, J. Kestin, and W. A. Wakeham, Physica A 97, 287 (1979).
30. A. C. Scott, A. I. Johns, J. T. R. Watson, and A. A. Clifford, J. Chem. Soc., Faraday Trans. 1 79, 733 (1983).
31. A. I. Johns, S. Rashid, J. T. R. Watson, and A. A. Clifford, J. Chem. Soc., Faraday Trans, 1 82, 2235 (1986).
32. J. Millat, M. Mustafa, M. Ross, W. A. Wakeham, and M. Zalaf, Physica A 145, 461 (1987).
33. B. G. Dickins, Proc. R. Soc. London, Ser. A 143, 517 (1934).
34. J. M. Lenoir and E. W. Comings, Chem. Eng. Prog. 47, 223 (1951).
35. H. L. Johnston and E. R. Grilly, J. Chem. Phys. 14, 233 (1946).
36. S. S. Bakulin, S. A. Ulybin, and E. P. Zherdev, Teplofiz. Vys. Temp. 14, 391 (1976).
37. E. Vogel, E. Bich, and S. Bock, Int. J. Thermophys. (in press).
38. S. F. Y. Li, M. Papadaki, and W. A. Wakeham, Thermal Conductivity 22-Proc. 22nd Int. Conf. Thermal Cond., edited by T. W. Tong (Technomic Publishing Company, Lancaster, PA, 1994), p. 531.
39. J. W. Haarman, AIP Conf. Proc. 11, 193 (1973).0
40. N. Imaishi, J. Kestin, and W. A. Wakeham, Physica A 123, 50 (1984).
41. B. Le. Neindre, R. Tufeu, P. Bury, and J. V. Sengers, Ber. Bunsenges. Phys. Chem. 77, 262 (1973).
42. A. van der Avoird, P. E. S. Wormer, and A. P. J. Jansen, J. Chem. Phys. 84, 1629 (1986).
43. A. van der Pol, A. van der Avoird and P. E. S. Wormer, J. Chem. Phys. 92, 7498 (1990).
44. J. Millat and W. A. Wakeham, J. Phys. Chem. Ref. Data 18, 565 (1989).
45. J. P. J. Heemskerk, F. G. van Kuik, H. F. P. Knaap, and J. J. M. Beenakker, Physica (Amsterdam) 71, 484 (1974).