Ab Initio Values of the Thermophysical Properties of Helium as Standards

Journal of Research of the National Institute of Standards and Technology

Volumn 105, Issue 5, 2000, Pages 667-688

  Hurly, John J ^a   Moldover, Michael R ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

Diffusion coefficient; Helium; Intermolecular potential; Second virial; Thermal conductivity; Thermal diffusion factor; Thermophysical standards; Transport properties; Viscosity

Indexed keywords

EID: 0000182422     PISSN: 1044677X     EISSN: None     Source Type: Journal    
DOI: 10.6028/jres.105.054     Document Type: Article

References (77)

1. L. A. Guildner and R. E. Edsinger, Deviation of International Practical Temperatures from Thermodynamic Temperatures in the Temperature Range from 273.16 to 730 K, J. Res. Natl. Bur. Stand. (U.S.) 80A (5-6), 703-737 (1976).
2. 4He between 3 K and 18 K, Metrologia 29, 37-57 (1992).
3. C. W. Meyer and M. L. Reilly, Proceedings of Tempmeko '96, 6th International Symposium on Temperature and Thermal Measurements in Industry and Science, P. Marcarino, ed., Torino, Levrotto & Bella (1997) pp. 39-44.
4. M. R. Moldover, J. B. Mehl, and J. Greenspan, Gas-filled spherical resonators: Theory and experiment, J. Acoust. Soc. Am. 79 (2), 253-272 (1986).
5. K. A. Gillis, Thermodynamic Properties of two Gaseous halogenated Ethers from speed-of-Sound measurements: Difluoromethoxy-Difluoromethane and 2-Difluoromethoxy-1,1,1-Trifluoroethane, Int. J. Thermophys. 15 (5), 821-847 (1994).
6. J. Wilhelm, E. Vogel, J. K. Lehmann, and W. A. Wakeham, A vibrating-wire viscometer for dilute and dense gases, Int. J. Thermophys. 19 (2), 391-401 (1998).
7. K. A. Gillis, J. B. Mehl, and M. R. Moldover, Greenspan acoustic viscometer for gases, Rev. Sci. Instrum. 67 (5), 1850-1857 (1996).
8. M. Waxman and H. Davis, Density of Ultra-Pure Air at 298.15 K for Mass Transfer Buoyancy Corrections, J. Res. Natl. Bur. Stand. (U.S.) 83 (5), 415-418 (1978).
9. K. T. Tang and J. P. Toennies, An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients, J. Chem. Phys. 80 (8), 3726-3741 (1984).
10. R. A. Aziz and M. J. Slaman, An Analysis of the ITS-90 Relations for the Nonideality of He-3 and He-4- Recommended Relations Based on a New Interatomic Potential for Helium, Metrologia 27, 211-219 (1990).
11. R. A. Aziz and M. J. Slaman, An examination of ab initio results for the helium potential energy curve, J. Chem. Phys. 94 (12), 8047-8053 (1991).
12. R. A. Aziz, A. R. Janzen, and M. R. Moldover, Ab initio Calculations for Helium: A standard for Transport Property Measurements, Phys. Rev. Lett. 74 (9), 1586-1589 (1995).
13. A. R. Janzen and R. A. Aziz, An accurate potential energy curve for helium based on ab initio calculations, J. Chem. Phys. 107 (3), 914-919 (1997).
14. P. J. Mohr and B. N. Taylor, The 1998 CODATA Recommended Values of the Fundamental Physical Constants, Web Version 3.1, available at physics.nist.gov/constants. National Institute of Standards and Technology, Gaithersburg, MD 20899, 3 December 1999.
15. 2 potential at small distances, J. Chem. Phys. 84 (2), 820-821 (1986).
16. J. B. Anderson, C. A. Traynor, and B. M. Boghosian, An exact quantum Monte Carlo calculation of the helium-helium intermolecular potential, J. Chem. Phys. 99 (1), 345-351 (1993).
17. W. Klopper and J. Noga, An explicitly correlated coupled cluster calculation of the helium-helium interatomic potential, J. Chem. Phys. 303 (14), 6127-6132 (1995).
18. T. Korona, H. L. Williams, R. Bukowski, B. Jeziorski, and K. Szalewicz, Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets, J. Chem. Phys. 106 (12), 5109-5122 (1997).
19. 2), Mol. Phys. 96 (9), 1423-1434 (1999).
20. J. Van de Bovenkamp and F. B. van Duijneveldt, MRCI calculations on the helium dimer employing and interaction optimized basis set, J. Chem. Phys. 110 (23), 11141-11151 (1999).
21. T. Van Mourik and T. H. Dunning Jr., A new ab initio potential energy curve for the helium dimer, J. Chem. Phys. 111 (20), 9248-9258 (1999).
22. 2 and the Dispersion-Energy Coefficients for Interactions Between Them, Inter. J. Quant. Chem. 45, 349-361 (1993).
23. M. Chen and K. T. Chung, Retardation long-range potentials between two helium atoms, Phys. Rev. A. 55 (3) 1439-1446 (1996).
24. J. Komasa, Exponentially correlated Gaussian functions in variational calculations: Energy expectation values in the ground state helium dimer, J. Chem. Phys. 110 (16), 7909-7916 (1999).
25. T. Van Mourik and J. H. van Lenthe, Benchmark full configuration interaction calculations of the helium dimer, J. Chem. Phys. 102 (19), 7479-7483 (1995).
26. R. Gdanitz, private communication.
27. 2, J. Chem. Phys. 104 (9), 3306-3319 (1996); Szalewicz, private communication.
28. 2, J. Chem. Phys. 104 (9), 3306-3319 (1996); Szalewicz, private communication.
29. J. Komasa, I. W. Cencek, and I. Rychlewski, Adiabatic corrections of the helium dimer from exponentially correlated Gaussian functions, Chem. Phys. Lett. 304. 293-298 (1999).
30. A. J. Thakkar, Higher dispersion coefficients: Accurate values for hydrogen atoms and simple estimates for other systems, J. Chem. Phys. 89 (4), 2092-2098 (1988).
31. J. M. Jamieson, G. W. F. Drake, and A. Dalgarno, Retarded dipole-dipole dispersion interaction potential for helium, Phys. Rev. A. 51 (4), 3358-3361 (1995).
32. A. R. Jansen and R. A. Aziz, Modern He-He Potentials - Another Look at Binding-energy, Effective Range Theory, Retardation, and Efimov States, J. Chem. Phys. 103 (22), 9626-9630 (1995).
33. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Molecular Theory of Gases and Liquids, New York, Wiley (1964).
34. D. R. Hartree, Numerical Analysis, 2nd ed., Oxford University Press, London, (1958).
35. R. J. LeRoy, University of Waterloo Chemical Physics Report, Computer Code CP-107R, Waterloo, Ontario, Canada.
36. J. J. Hurly, G. T. McConville, and W. L. Taylor, Algorithms and Fortran Programs to Calculate Quantum Collision integrals for Realistic Intermolecular Potentials, MLM-3635, Miamisburg, EG&GMAT (1990).
37. G. C. Maitland, M. Rigby, E. B. Smith, and W. A. Wakeham, Intermolecular Forces, Oxford, Clarendon Press (1981).
38. D. K. Kahaner, C. Moler, and S. Nash, Numerical Methods and Software, Prentice Hall. Englewood Cliffs, NJ (1989).
39. F. R. Meeks, T. J. Cleland, K. E. Hutchinson, and W. L. Taylor, On the quantum cross sections in dilute gases, J. Chem. Phys. 100 (5), 3813-3820 (1984).
40. L. A. Viehland, A. R. Janzen, and R. A. Aziz, High approximations to the transport properties of pure atomic gases, J. Chem. Phys. 102 (13), 5444-5450 (1995).
41. M. J. Assael, W. A. Wakeham, and J. Kestin, Higher-Order Approximation to the Thermal Conductivity of Monatomic Gas Mixtures. Int. J. Thermophys. 1 (1), 7-32 (1980).
42. E. A. Mason, Higher Approximations for the Transport Properties of Binary Gas Mixtures I. General Formulas. J. Chem. Phys. 27 (1), 75-84 (1957).
43. K. H. Berry, NPL-75: A low Temperature Gas Thermometry Scale from 2.6 K to 27.1 K, Metrologia 15, 89-115 (1979).
44. D. Gugan and G. W. Michel, Dielectric Constant Gas Thermometry from 4.2 to 27.1 K Metrologia 16, 149-167 (1980).
45. 4He Between 13.81 K and 287 K Using a Constant-Volume Gas Thermometer, Metrologia 23, 61-86 (1986).
46. B. E. Gammon, The velocity of sound with derived state properties in helium at -175 to 150 °C with pressure to 150 atm, J. Chem. Phys. 64 (6), 2556-2568 (1979).
47. G. S. Kell, G. E. McLaurin, and E. Whalley, Second virial coefficient of helium from O to 500 °C by the two-temperature gas-expansion method. J. Chem. Phys. 68 (5), 2199-2205 (1978).
48. F. C. Matacotta, G. T. McConville, P. P. M. Steur, and M. Durieux, Measurements and Calculations of the He Second Virial Coefficient Between 1.5 K and 20.3 K, Metrologia 24, 61-67 (1978).
49. G. T. McConville and J. J. Hurly, An Analysis of the Accuracy of the Calculation of the Second Virial Coefficient of Helium from Interatomic Potential Functions, Metrologia 28, 375-383 (1991).
50. 4 zwischen 1,3 °K, Z. Phys. 137, 126-136 (1954).
51. W. A. Wakeham, A. Nagashima, and J. V. Sengers, Measurement of the transport properties of fluids, London, Blackwell (1991) pp. 442-450.
52. G. C. Maitland and E. B. Smith, Critical Reassessment of Viscosities of 11 Common Gases, J. Chem. Eng. Data 17 (2), 151-156 (1971).
53. E. Vogel. Präzisionsmessungen des Viskositätskoeffizienten von Stickstoff und den Edelgases zwischen Raumtemperatur und 650 K. Ber. Bunsenges. Phys. Chem. 88, 997-1002 (1984).
54. J. Kestin, S. T. Ro, and W. A. Wakeham, Viscosity of the Noble Gases in the Temperature Range 25-700 °C. J. Chem. Phys. 56 (8), 4119-4122 (1972).
55. A. G. Clarke and E. B. Smith, Low-Temperature Viscosities and Intermolecular Forces of Simple Gases, J. Chem. Phys. 51 (9), 4156-4161 (1969).
56. R. A. Dawe and E. B. Smith, Viscosities of the Inert Gases at High Temperatures, J. Chem Phys. 52, (2), 693-703 (1970).
57. 2 below 80 °K, Physica 24, 557-576 (1958).
58. J. Kestin and W. A. Wakeham, The Viscosity and Diffusion Coefficient of Binary Mixtures of Nitrous Oxide with He, Ne and CO, Ber. Bunsenges Phys. Chem. 87, 309-311 (1983).
59. H. L. Johnston and E. R. Grilly, Viscosities of Carbon Monoxide, Helium, Neon, and Argon between 80 ° and 300 °K. Coefficients of Viscosity, J. Phys. Chem. 46, 948-963 (1942).
60. A. S. Kalelkar and J. Kestin. Viscosity of He-Ar and He-Kr Binary Gaseous Mixtures in the Temperature Range 25-700 °C. J. Chem. Phys. 52 (8), 4248-4267 (1970).
61. J. Kestin, H. E. Khalifa, and W. A. Wakeham, The Viscosity and Diffusion Coefficients of the Binary Mixtures of Xenon with the other Noble Gases, Physica 90A, 215-228 (1978).
62. F. A. Guevara, B. B. McInteer, and W. E. Wageman, High-Temperature Viscosity Ratios for Hydrogen, Helium, Argon, and Nitrogen, Phys. Fluids 12 (12), 2493-2502 (1969).
63. 2 with a Transient Hot Wire Method, AIP Conf. Proc. 11, 193-198 (1973).
64. B. J. Jody, S. C. Saxena, V. P. S. Nain, and R. A. Aziz, Thermal Conductivity of Helium: A Probe for the Repulsive Wall of the Interatomic Potential. Chem. Phys. 22, 53-58 (1977).
65. M. J. Assael, M. Dix, A. Lucas, and W. A. Wakeham, Absolute Determination of the Thermal Conductivity of the Noble Gases and Two of their Binary Mixtures as a Function of Density, J. Chem. Soc., Faraday Trans. 1 77, 439-464 (1981).
66. 4He, Physica 90B, 192-204 (1977).
67. J. Kestin, R. Paul, A. A. Clifford, and W. A. Wakeham, Absolute Determination of the Thermal Conductivity of the Noble Gases at Room Temperature up to 35 MPa, Physica 100A, 349-369 (1980).
68. J. C. Liner and S. Weissman, Determination of the Temperature Dependence of Gaseous Diffusion Coefficients Using gas Chromatographic Apparatus, J. Chem. Phys 56 (5), 2288-2290 (1971).
69. 2 gas diffusion Coefficients, Phys. Rev. 110 (1), 85-89 (1958).
70. G. A. DuBro and S. Weissman, Measurements of Gaseous Diffusion Coefficients, Phys. Fluids 13 (11), 2682-2688 (1970).
71. M. R. Moldover, Can a pressure standard be based on capacitance measurements?, J. Res. Natl. Inst. Stand. Technol. 103 (2), 167-175 (1998); K. Szalewicz, private communication.
72. M. R. Moldover, Can a pressure standard be based on capacitance measurements?, J. Res. Natl. Inst. Stand. Technol. 103 (2), 167-175 (1998); K. Szalewicz, private communication.
73. J. J. Hurly, W. L. Taylor, and F. R. Meeks, Thermal-Diffusion Factors at Low-Temperatures for Gas-Phase Mixtures of Isotopic Helium, J. Chem. Phys. 96 (5), 3775-3781 (1992).
74. 4He system in the quantum region, J. Chem. Phys. 58 (3), 834-840 (1972).
75. 4He system, J. Chem. Phys. 55 (8), 4000-4004 (1971).
76. 3 by Thermal Diffusion, Phys. Rev. 72 (6), 510-511 (1947).
77. W. W. Watson, A. J. Howard, N. E. Miller, and R. M. Shiffrin, Isotopic Thermal Diffusion Factors for Helium and neon at Low Temperatures, Z. Naturforsch. Teal A 18A, 242-245 (1963).