Parametric Effects of the Potential Energy Function on the Geometrical Features of Ternary Lennard-Jones Clusters

2012 ◽  
Vol 116 (31) ◽  
pp. 8218-8225 ◽  
Author(s):  
Xia Wu ◽  
Yan Sun ◽  
Chunsheng Li ◽  
Wei Yang
Keyword(s):  
Potential Energy ◽  
Energy Function ◽  
Potential Energy Function ◽  
Lennard Jones ◽  
Geometrical Features ◽  
Parametric Effects

PREDICTION OF THE TRANSPORT PROPERTIES OF SF6 WITH O2, CO2, CF4, N2 AND CH4 MIXTURES AT LOW DENSITY BY THE INVERSION METHOD (PART II)

2004 ◽  
Vol 03 (01) ◽  
pp. 69-90 ◽  
Author(s):  
BEHZAD HAGHIGHI ◽  
ALIREZA HASSANI DJAVANMARDI ◽  
MOHAMAD MEHDI PAPARI ◽  
MOHSEN NAJAFI
Keyword(s):  
Potential Energy ◽  
Diffusion Coefficients ◽  
Potential Energy Function ◽  
Model Potential ◽  
Inversion Method ◽  
Low Density ◽  
Initial Model ◽  
Lennard Jones ◽  
Inversion Procedure ◽  
And Diffusion

Viscosity and diffusion coefficients for five equimolar binary gas mixtures of SF 6 with O 2, CO 2, CF 4, N 2 and CH 4 gases are determined from the extended principle of corresponding states of viscosity by the inversion technique. The Lennard–Jones 12-6 (LJ 12-6) potential energy function is used as the initial model potential required by the technique. The obtained interaction potential energies from the inversion procedure reproduce viscosity within 1% and diffusion coefficients within 5%.

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