Neon: Difference between revisions

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'''Neon''' (Ne)
'''Neon''' (Ne)
==Lennard-Jones parameters==
==Models==
====BFW potential====
====Buckingham potential====
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 &#8491;.
====HBV potential====
====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"
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| 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==
====Leonhard and Deiters potential====
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>):
====NE2 potential====
:<math>E(r) = 25.7 \times 10^{-10} e^{-r/0.235} -9 \times 10^{-12} r^{-6} </math>
=Phase diagram=
where <math>E</math> is in ergs ( 10<sup>−7</sup> J) and <math>r</math> in &#8491;.
==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'''

Revision as of 12:41, 16 September 2016

Neon (Ne)

Models

BFW potential

Buckingham potential

The Buckingham potential for neon is given by (Eq. 26 [1]):

where is in ergs ( 10−7 J) and in Å.

HBV potential

Lennard-Jones parameters

Some Lennard-Jones parameters for neon are listed in the following table:

Authors (meV) (nm) Reference
Herrero 3.0840 0.2782 [2]
Ramírez and Herrero 3.2135 0.2782 [3]

Leonhard and Deiters potential

NE2 potential

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

Virial coefficients [5].

References

Related reading