Comparison between Different Explicit Expressions of the Effective Hard Sphere Diameter of Lennard-Jones Fluid:  Application to Self-Diffusion Coefficients

1998 ◽  
Vol 37 (1) ◽  
pp. 221-227 ◽  
Author(s):  
Carlos M. Silva ◽  
Hongqin Liu ◽  
Eugénia A. Macedo
Keyword(s):  
Diffusion Coefficients ◽  
Hard Sphere ◽  
Sphere Diameter ◽  
Self Diffusion ◽  
Lennard Jones ◽  
Explicit Expressions

Self-diffusion coefficients of Lennard-Jones fluids

1987 ◽  
Vol 20 (34) ◽  
pp. 5749-5757 ◽  
Author(s):  
K Tankeshwar ◽  
K N Pathak ◽  
S Ranganathan
Keyword(s):  
Diffusion Coefficients ◽  
Self Diffusion ◽  
Lennard Jones

p, T Dependence of the Self Diffusion Coefficients and Densities in Liquid Silicone Oils

1996 ◽  
Vol 51 (3) ◽  
pp. 192-196 ◽  
Author(s):  
A. Thern ◽  
H.-D. Lüdemann
Keyword(s):  
Diffusion Coefficients ◽  
Hard Sphere ◽  
The Self ◽  
Hard Sphere Model ◽  
Tait Equation ◽  
Sphere Model ◽  
Rouse Model ◽  
Self Diffusion ◽  
Silicone Oils ◽  
Liquid Silicone

Abstract Self diffusion coefficients and densities from a series of commercial silicones have been studied in the temperature range between 290 and 410 K at pressures up to 200 MPa. The densities are fitted to a modified Tait equation. The self diffusion coefficients are discussed in terms of the rough hard sphere model and tested against the Rouse-model.

Self-diffusion coefficients of the metastable Lennard-Jones vapor

2008 ◽  
Vol 20 (41) ◽  
pp. 415105 ◽  
Author(s):  
Chu Nie ◽  
Youhua Zhou ◽  
W H Marlow ◽  
Y A Hassan
Keyword(s):  
Diffusion Coefficients ◽  
Self Diffusion ◽  
Lennard Jones

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.

Application of the Hard Sphere Theory to the Diffusion of Binary Liquid Alloy Systems

1981 ◽  
Vol 36 (11) ◽  
pp. 1225-1232 ◽  
Author(s):  
G. Schwitzgebel ◽  
G. Langen
Keyword(s):  
Melting Temperature ◽  
Liquid Alloy ◽  
Diffusion Coefficients ◽  
Hard Sphere ◽  
Liquid Alloys ◽  
Particle Interactions ◽  
Self Diffusion ◽  
Binary Liquid ◽  
Pure Metals ◽  
Better Than

On the basis of the van der Waals concept of Ascarelli and Paskin the hard sphere theory of self diffusion is extended to binary liquid alloys. Using only the melting temperature of the pure metals and the densities, component self-diffusion coefficients and, with the help of Darken’s equation, mutual diffusion coefficients were calculated. Agreement with experimental results is good in (Bi, Sn), and excellent in (Sn, Zn) and (Li, Ag). Impurity diffusion in liquid Cu, Sn and Pb is predicted better than by the theory of Protopapas et al. Deviations in (Hg, Zn) and (Li, Pb) are tentatively attributed to strong particle interactions in one component (Hg) or in the alloy (Li, Pb).

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