Molecular dynamics calculation of the transport coefficients of liquid benzene+cyclohexane mixtures using six‐center Lennard‐Jones potentials

1993 ◽  
Vol 99 (12) ◽  
pp. 9912-9916 ◽  
Author(s):  
H. M. Schaink ◽  
H. Luo ◽  
C. Hoheisel
Keyword(s):  
Molecular Dynamics ◽  
Transport Coefficients ◽  
Lennard Jones ◽  
Liquid Benzene ◽  
Dynamics Calculation

Transport coefficients of the Lennard–Jones fluid by molecular dynamics

1986 ◽  
Vol 64 (7) ◽  
pp. 773-781 ◽  
Author(s):  
D. M. Heyes
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Bulk Viscosity ◽  
Shear Viscosity ◽  
Diffusion Coefficients ◽  
Transport Coefficients ◽  
The Self ◽  
Nonequilibrium Molecular Dynamics ◽  
Self Diffusion ◽  
Lennard Jones

New nonequilibrium molecular dynamics (MD) calculations of the shear viscosity, bulk viscosity, and thermal conductivity are presented. Together with the self-diffusion coefficients obtained from equilibrium MD, the success of the Dymond–Batchinski expressions for the density and temperature dependence of these transport coefficients is demonstrated.The shear viscosity and self-diffusion coefficients are very good probes for the approach point of the solid-to-liquid phase change. The bulk viscosity and thermal conductivity are less useful in this respect.

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