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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, 1 and 2
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 Molecular Dynamics; Lennards-Jonnes Systems; Thermodynamic Properties; Diffusion Coefficients; Shear Viscosity
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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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.


Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert