Neon
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Neon (Ne)
Models[edit]
Buckingham potential[edit]
The Buckingham potential for neon is given by (Eq. 26 ^{[1]}):
where is in ergs ( 10^{−7} J) and in Å.
HBV potential[edit]
The Hellmann-Bich-Vogel potential ^{[2]}.
Lennard-Jones parameters[edit]
Some Lennard-Jones parameters for neon are listed in the following table:
Authors | (meV) | (nm) | Reference |
Herrero | 3.0840 | 0.2782 | ^{[3]} |
Ramírez and Herrero | 3.2135 | 0.2782 | ^{[4]} |
Leonhard and Deiters potential[edit]
^{[5]}.
NE2 potential[edit]
^{[6]}.
Phase diagram[edit]
The phase diagram for temperatures in the range of 17–50 K and pressures between 10^{−2} and 2×10^{3} bar has been calculated in Ref. 2. The critical point was located at and bar (Ref. 2 Table I), and the triple point at and bar (Ref. 2 Table II).
Crystallization line[edit]
The structural regularities along the crystallization line has been studied by way of path integral Monte Carlo simulations and the Ornstein-Zernike pair equation ^{[7]}.
Virial coefficients[edit]
Virial coefficients ^{[8]}.
References[edit]
- ↑ R. A. Buckingham "The Classical Equation of State of Gaseous Helium, Neon and Argon", Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences 168 pp. 264-283 (1938)
- ↑ Robert Hellmann , Eckard Bich and Eckhard Vogel "Ab initio potential energy curve for the neon atom pair and thermophysical properties of the dilute neon gas. I. Neon–neon interatomic potential and rovibrational spectra", Molecular Physics 106 pp. 133-140 (2008)
- ↑ Carlos P. Herrero "Isotope effects in structural and thermodynamic properties of solid neon", Physical Review B 65 014112 (2001)
- ↑ R. Ramírez and C. P. Herrero "Quantum path-integral study of the phase diagram and isotope effects of neon", Journal of Chemical Physics 129 204502 (2008)
- ↑ K. Leonhard and U. K. Deiters "Monte Carlo simulations of neon and argon using ab initio potentials", Molecular Physics 98 pp. 1603-1616 (2000)
- ↑ Rolf Eggenberger, Stefan Gerber, Hanspeter Huber and Marc Welker "A new ab initio potential for the neon dimer and its application in molecular dynamics simulations of the condensed phase", Molecular Physics 82 pp. 689-699 (1994)
- ↑ Luis M. Sesé "Path-integral and Ornstein-Zernike study of quantum fluid structures on the crystallization line", Journal of Chemical Physics 144 094505 (2016)
- ↑ Jonas Wiebke, Elke Pahl, and Peter Schwerdtfeger "Up to fourth virial coefficients from simple and efficient internal-coordinate sampling: Application to neon", Journal of Chemical Physics 137 014508 (2012)
Related reading
- John Edward Lennard-Jones "On the Atomic Fields of Helium and Neon", Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character 107 pp. 157-170 (1925)
- J. G. Powles and J. L. F. Abascal "The structure of liquid neon: an anomaly resolved", Journal of Physics C: Solid State Physics 16 L441 (1983)
- R. Ramírez, C. P. Herrero, A. Antonelli, and E. R. Hernández "Path integral calculation of free energies: Quantum effects on the melting temperature of neon", Journal of Chemical Physics 129 064110 (2008)
- Ionuţ Georgescu, Sandra E. Brown, and Vladimir A. Mandelshtam "Mapping the phase diagram for neon to a quantum Lennard-Jones fluid using Gibbs ensemble simulations", Journal of Chemical Physics 138 134502 (2013)
- Maryna Vlasiuk, Federico Frascoli and Richard J. Sadus "Molecular simulation of the thermodynamic, structural, and vapor-liquid equilibrium properties of neon", Journal of Chemical Physics 145 104501 (2016)
- Gábor Rutkai, Monika Thol, Roland Span and Jadran Vrabec "How well does the Lennard-Jones potential represent the thermodynamic properties of noble gases?", Molecular Physics 115 pp. 1104-1121 (2017)