COMPRESSIBILITY OF GASES AT HIGH TEMPERATURES: IX. SECOND VIRIAL COEFFICIENTS AND THE INTERMOLECULAR POTENTIAL OF NEON

1955 ◽  
Vol 33 (4) ◽  
pp. 589-596 ◽  
Author(s):  
G. A. Nicholson ◽  
W. G. Schneider
Keyword(s):  
Low Temperature ◽  
High Temperatures ◽  
Pressure Range ◽  
Virial Coefficients ◽  
Intermolecular Potential ◽  
Lennard Jones Potential ◽  
Intermolecular Potentials ◽  
Jones Potential ◽  
Second Virial Coefficients ◽  
Lennard Jones

The second virial coefficients of neon have been determined in the temperature range 0° to 700 °C. and the pressure range 10 to 80 atmospheres. These data were combined with published low temperature (−150° to 0 °C.) second virial data, to investigate the intermolecular potentials of neon using both a Lennard-Jones potential, with a 9th and 12th power repulsion term, and also a modified Buckingham exponential–six potential. The agreement between observed and calculated values of B(T) was excellent for both the exponential–six and the Lennard-Jones 12:6 potentials and slightly less satisfactory for the Lennard-Jones 9:6 potential.

Intermolecular forces and properties of fluid. I. The automatic calculation of higher virial coefficients and some values of the fourth coefficient for the Lennard-Jones potential

1960 ◽  
Vol 254 (1279) ◽  
pp. 487-498 ◽  
Keyword(s):  
Virial Coefficient ◽  
Mathematical Problem ◽  
Virial Coefficients ◽  
Intermolecular Forces ◽  
Lennard Jones Potential ◽  
Intermolecular Potentials ◽  
Jones Potential ◽  
Lennard Jones ◽  
Experimental Values ◽  
First Time

The prediction of the virial coefficients for particular intermolecular potentials is generally regarded as a difficult mathematical problem. Methods have only been available for the second and third coefficient and in fact only few calculations have been made for the latter. Here a new method of successive approximation is introduced which has enabled the fourth virial coefficient to be evaluated for the first time for the Lennard-Jones potential. It is particularly suitable for automatic computation and the values reported here have been obtained by the use of the EDSAC I. The method is applicable to other potentials and some values for these will be reported subsequently. The values obtained cannot yet be compared with any experimental results since these have not been measured, but they can be used in the meantime to obtain more accurate experimental values of the lower coefficients.

Virial Coefficients of Modified Lennard-Jones Potential

2014 ◽  
Vol 59 (2) ◽  
pp. 172-178 ◽  
Author(s):  
Ushcats M.V. Ushcats M.V. ◽  
Keyword(s):  
Virial Coefficients ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones

scholarly journals Low Temperature Second Virial Coefficients for a Lennard‐Jones Gas

1952 ◽  
Vol 20 (11) ◽  
pp. 1670-1672 ◽  
Author(s):  
Leo F. Epstein
Keyword(s):  
Low Temperature ◽  
Virial Coefficients ◽  
Second Virial Coefficients ◽  
Lennard Jones

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.

Second and third virial coefficients for the Lennard-Jones potential

1971 ◽  
Vol 22 (6) ◽  
pp. 1131-1132 ◽  
Author(s):  
R.E. Caligaris ◽  
A.E. Rodriguez
Keyword(s):  
Virial Coefficients ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones

scholarly journals Modeling of Hydrogen Adsorption Phenomenon in Amorphous Silica Using Molecular Dynamics Method

2020 ◽  
Vol 3 (1) ◽  
pp. 25-33
Author(s):  
Muhammad Hanif
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Low Temperature ◽  
Hydrogen Storage ◽  
Amorphous Silica ◽  
Dynamics Simulation ◽  
Lennard Jones Potential ◽  
Jones Potential ◽  
Lennard Jones ◽  
Temperature And Pressure

Hydrogen is one of the future source energy because it has environmentally friendly. However, there are still some problems in the storage method of hydrogen. In several studies, it was found that Silicon based material is a promising candidate as a hydrogen storage medium. In this study, the effect of various temperature and pressure to the adsorption of hydrogen on amorphous silica with molecular dynamics simulation using Lennard-Jones potential. In this simulation, the temperature that i used are 233, 253, 273 and 293 K with pressure at each temperature are 1, 2, 5, 10, and 15 atm. The simulations had successfully visualized and indicate that amorphous silica has a good hydrogen storage capability where temperature and pressure affect the amount of hydrogen adsorbed. At low temperature (233 K), the hydrogen concentrations are relatively high than at higher temperature. The best result of hydrogen capacity is 0.048116% that occurred at high pressure (15 atm) with low temperature (233 K) condition.Keywords: hydrogen storage, amorphous silica, molecular dynamics simulation, Lennard-Jones potential, adsorption *The paper has been selected from a collaboration with IPST and 7th ICFCHT 2019 for a conference entitled "Innovation in Polymer Science and Technology (IPST) 2019 in Conjunction with 7th International Conference on Fuel Cell and Hydrogen Technology (ICFCHT 2019) on October 16th - 19th at The Stones Hotel Legian, Bali, Indonesia"

GRÜNEISEN PARAMETER OF IONIC AND COVALENT CRYSTALS FOR LOW AND HIGH TEMPERATURES

2002 ◽  
Vol 13 (02) ◽  
pp. 209-216
Author(s):  
S. D. D. ROY ◽  
K. RAMACHANDRAN
Keyword(s):  
High Temperatures ◽  
Anisotropy Factor ◽  
Force Model ◽  
Lennard Jones Potential ◽  
Ionic Crystals ◽  
Grüneisen Parameter ◽  
Gruneisen Parameter ◽  
Jones Potential ◽  
Lennard Jones

The Grüneisen parameter for covalent crystals is calculated by employing an angular force model with eight parameters and using a 6–12 potential [Lennard–Jones potential (L–J)] whereas for ionic crystals, it is calculated by employing the Daniel's method, which uses anisotropy factor tables f(s,t) of de Launay.

scholarly journals Characteristic Curves of the Lennard-Jones Fluid

2021 ◽  
Author(s):  
Simon Stephan ◽  
Ulrich K. Deiters
Keyword(s):  
Virial Coefficient ◽  
Equations Of State ◽  
Virial Coefficients ◽  
Intermolecular Potential ◽  
Intermolecular Potentials ◽  
Characteristic Curves ◽  
The Past ◽  
Lennard Jones ◽  
Physically Based ◽  
Third Virial Coefficient

Equations of state based on intermolecular potentials are often developed about the Lennard-Jones (LJ) potential. Many of such EOS have been proposed in the past. In this work, 20 LJ EOS were examined regarding their performance on Brown’s characteristic curves and characteristic state points. Brown’s characteristic curves are directly related to the virial coefficients at specific state points, which can be computed exactly from the intermolecular potential. Therefore, also the second and third virial coefficient of the LJ fluid were investigated. This approach allows a comparison of available LJ EOS at extreme conditions. Physically based, empirical, and semi-theoretical LJ EOS were examined. Most investigated LJ EOS exhibit some unphysical artifacts.

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