Int. J. Mol. Sci. 2003, 4(12), 595-606; doi:10.3390/i4120595
Article

Thermodynamic, Structural and Transport Properties of Lennard-Jones Liquid Systems. A Molecular Dynamics Simulations of Liquid Helium, Neon, Methane and Nitrogen

1 Department of Chemitry, Faculty of Science, U.S.T.O, P.O. Box BP 1505 El Menaour, Oran-Algeria 2 Department of Physics, Faculty of Science, Univerity Abou-Bekr Belkaid of Tlemcen, Tlemcen- Algeria
* Author to whom correspondence should be addressed.
Received: 12 May 2003; Accepted: 14 October 2003 / Published: 4 December 2003
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Abstract: Molecular dynamics calculations are carried out in order to find the properties of Lennard Jones liquids in different state points of their phase diagram. The spherical shape and the stability of the helium, neon, methane and nitrogen make the liquids easily accessible to numerical simulation. Thermodynamic, structural, and transport properties are studied and compared with both experimental data and recent theoretical investigations. In the present work, up to 22 state points are covered, some of which are near or at the triple point. It will be shown that the classical approach leads to data that are in very good agreement with experiments and other types of calculations. At high temperatures and low densities, we observe a decrease in the uncertainties in the stress autocorrelation function by increasing the number of iterations.
Keywords: Molecular Dynamics; Lennards-Jonnes Systems; Thermodynamic Properties; Diffusion Coefficients; Shear Viscosity

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MDPI and ACS Style

Tchouar, N.; Benyettou, M.; Kadour, F.O. Thermodynamic, Structural and Transport Properties of Lennard-Jones Liquid Systems. A Molecular Dynamics Simulations of Liquid Helium, Neon, Methane and Nitrogen. Int. J. Mol. Sci. 2003, 4, 595-606.

AMA Style

Tchouar N, Benyettou M, Kadour FO. Thermodynamic, Structural and Transport Properties of Lennard-Jones Liquid Systems. A Molecular Dynamics Simulations of Liquid Helium, Neon, Methane and Nitrogen. International Journal of Molecular Sciences. 2003; 4(12):595-606.

Chicago/Turabian Style

Tchouar, N.; Benyettou, M.; Kadour, F. O. 2003. "Thermodynamic, Structural and Transport Properties of Lennard-Jones Liquid Systems. A Molecular Dynamics Simulations of Liquid Helium, Neon, Methane and Nitrogen." Int. J. Mol. Sci. 4, no. 12: 595-606.

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