The extended Lennard-Jones potential energy function: A simpler model for direct-potential-fit analysis

2016 ◽  
Vol 330 ◽  
pp. 4-13 ◽  
Author(s):  
Photos G. Hajigeorgiou
Keyword(s):  
Potential Energy ◽  
Energy Function ◽  
Potential Energy Function ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones

A continuum approximation of the rare-gas liquids

1994 ◽  
Vol 72 (5-6) ◽  
pp. 206-209
Author(s):  
P. Mohazzabi ◽  
Timothy H. Popadic
Keyword(s):  
Nearest Neighbors ◽  
Potential Energy Function ◽  
Heat Of Fusion ◽  
Continuum Approximation ◽  
Rare Gas ◽  
Lennard Jones Potential ◽  
Neutron Diffraction Data ◽  
Jones Potential ◽  
Latent Heat Of Fusion ◽  
Lennard Jones

Potential energies and the number of nearest neighbors in liquid neon, argon, krypton, and xenon are calculated using a continuum approximation and the Lennard–Jones potential energy function. The number of nearest neighbors obtained in this way compare very well to those obtained from the neutron diffraction data. The potential energies are used to calculate the latent heat of fusion for these elements, which are in excellent agreement with the experimental data in all cases.

The behaviour of fluids of Quasi-Spherical molecules. I. Gases at low densities

1954 ◽  
Vol 7 (1) ◽  
pp. 1 ◽  
Author(s):  
SD Hamann ◽  
JA Lambert
Keyword(s):  
Potential Energy ◽  
Interaction Energy ◽  
Good Description ◽  
Virial Coefficients ◽  
Polyatomic Molecules ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones

Consideration of the spherically smoothed mutual potential energy between nearly spherical polyatomic molecules leads to the conclusion that it can often be well represented by a (28,7) type of Lennard-Jones potential. Second and third virial coefficients have been calculated for this potential and also for (∞,6) and (∞,7) potentials. The (28,7) interaction energy gives a good description of the properties of gases of quasi-spherical molecules. For these gases it is markedly superior to the more usual (12,6) potential.

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