Editing Neon
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
| Latest revision | Your text | ||
| Line 1: | Line 1: | ||
'''Neon''' (Ne) | '''Neon''' (Ne) | ||
==Lennard-Jones parameters== | |||
Some [[Lennard-Jones model |Lennard-Jones]] parameters for neon are listed in the following table: | Some [[Lennard-Jones model |Lennard-Jones]] parameters for neon are listed in the following table: | ||
{| border="1" | {| border="1" | ||
| Line 17: | Line 10: | ||
| Ramírez and Herrero || 3.2135 || 0.2782 || <ref>[http://dx.doi.org/10.1063/1.3023036 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)]</ref> | | Ramírez and Herrero || 3.2135 || 0.2782 || <ref>[http://dx.doi.org/10.1063/1.3023036 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)]</ref> | ||
|} | |} | ||
== | ==Buckingham potential== | ||
<ref>[http://dx.doi.org/10. | The [[Buckingham potential]] for neon is given by (Eq. 26 <ref>[http://dx.doi.org/10.1098/rspa.1938.0173 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)]</ref>): | ||
:<math>E(r) = 25.7 \times 10^{-10} e^{-r/0.235} -9 \times 10^{-12} r^{-6} </math> | |||
< | where <math>E</math> is in ergs ( 10<sup>−7</sup> J) and <math>r</math> in Å. | ||
=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==== | ====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>. | 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>. | ||
=References= | ==References== | ||
<references/> | <references/> | ||
'''Related reading''' | '''Related reading''' | ||
| Line 34: | Line 27: | ||
*[http://dx.doi.org/10.1063/1.2966006 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)] | *[http://dx.doi.org/10.1063/1.2966006 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)] | ||
*[http://dx.doi.org/10.1063/1.4796144 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)] | *[http://dx.doi.org/10.1063/1.4796144 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)] | ||
[[category: models]] | [[category: models]] | ||