Neon: Difference between revisions
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==Phase diagram== | ==Phase diagram== | ||
The [[Phase diagrams |phase diagram]] for [[temperature]]s in the range of 17–50 K and [[pressure]]s between 10<sup>−2</sup> and 2×10<sup>3</sup> bar has been calculated in Ref. 2. The [[critical points |critical point]] was located at <math>T_c =46.7 ~{\mathrm K} </math> and <math>p_c = 27.7 </math> bar (Ref. 2 Table I), and the [[triple point]] at <math>T_{tp} =24.55 ~{\mathrm K} </math> and <math>p_{tp} = 0.315 </math> bar (Ref. 2 Table II). | The [[Phase diagrams |phase diagram]] for [[temperature]]s in the range of 17–50 K and [[pressure]]s between 10<sup>−2</sup> and 2×10<sup>3</sup> bar has been calculated in Ref. 2. The [[critical points |critical point]] was located at <math>T_c =46.7 ~{\mathrm K} </math> and <math>p_c = 27.7 </math> bar (Ref. 2 Table I), and the [[triple point]] at <math>T_{tp} =24.55 ~{\mathrm K} </math> and <math>p_{tp} = 0.315 </math> bar (Ref. 2 Table II). | ||
====Crystallization line==== | |||
The structural regularities along the crystallization line has been studied by way of [[Path integral formulation | path integral Monte Carlo simulations]] and the [[Ornstein-Zernike relation | Ornstein-Zernike pair equation]] <ref>[http://dx.doi.org/10.1063/1.4943005 Luis M. Sesé "Path-integral and Ornstein-Zernike study of quantum fluid structures on the crystallization line", Journal of Chemical Physics '''144''' 094505 (2016)]</ref>. | |||
==Virial coefficients== | ==Virial coefficients== | ||
[[Virial equation of state#Virial coefficients | Virial coefficients]] <ref>[http://dx.doi.org/10.1063/1.4731344 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)]</ref>. | [[Virial equation of state#Virial coefficients | Virial coefficients]] <ref>[http://dx.doi.org/10.1063/1.4731344 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)]</ref>. | ||
Revision as of 15:04, 9 March 2016
Neon (Ne)
Lennard-Jones parameters
Some Lennard-Jones parameters for neon are listed in the following table:
| Authors | (meV) | (nm) | Reference |
| Herrero | 3.0840 | 0.2782 | [1] |
| Ramírez and Herrero | 3.2135 | 0.2782 | [2] |
Buckingham potential
The Buckingham potential for neon is given by (Eq. 26 [3]):
where is in ergs ( 10−7 J) and in Å.
Phase diagram
The phase diagram for temperatures in the range of 17–50 K and pressures between 10−2 and 2×103 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
The structural regularities along the crystallization line has been studied by way of path integral Monte Carlo simulations and the Ornstein-Zernike pair equation [4].
Virial coefficients
References
- ↑ 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)
- ↑ 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)
- ↑ 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)