scholarly journals Interpretation of the pressure-induced Raman frequency shift of the ν1 stretching bands of CH4 and N2 within CH4–CO2, N2–CO2 and CH4–N2 binary mixtures

2021 ◽  
Author(s):  
Van-Hoan Le ◽  
Alexandre Tarantola ◽  
Marie-Camille Caumon
Keyword(s):  
Frequency Shift ◽  
Binary Mixtures ◽  
Hard Sphere ◽  
Fluid Model ◽  
Raman Frequency ◽  
Hard Sphere Fluid ◽  
Lennard Jones ◽  
Force Variation ◽  
Raman Frequency Shift

The pressure-induced frequency shift of the CH4 and N2 bands is interpreted by quantitatively attributing to the attractive and repulsive solvation mean-force variation using the Lennard–Jones 6-12 potential and the perturbed hard-sphere fluid model.

A hard sphere fluid model for superionic conductors

1980 ◽  
Vol 33 (2) ◽  
pp. 245-248 ◽  
Author(s):  
J. Hammerberg ◽  
M. Plischke
Keyword(s):  
Hard Sphere ◽  
Fluid Model ◽  
Superionic Conductors ◽  
Hard Sphere Fluid

scholarly journals Raman frequency shift in oxygen-functionalized carbon nanotubes

2007 ◽  
Vol 18 (46) ◽  
pp. 465706 ◽  
Author(s):  
Z X Guo ◽  
J W Ding ◽  
Y Xiao ◽  
D Y Xing
Keyword(s):  
Carbon Nanotubes ◽  
Frequency Shift ◽  
Raman Frequency ◽  
Functionalized Carbon Nanotubes ◽  
Raman Frequency Shift

COMPUTER ALGEBRA REEXAMINATION OF THE SCALED PARTICLE THEORY FOR HARD-SPHERE AND LENNARD-JONES FLUIDS

2008 ◽  
Vol 22 (26) ◽  
pp. 2601-2615 ◽  
Author(s):  
S. B. KHASARE
Keyword(s):  
Real Number ◽  
Computer Algebra ◽  
Hard Sphere ◽  
Physical Property ◽  
Arbitrary Real Number ◽  
Scaled Particle Theory ◽  
Particle Theory ◽  
Hard Sphere Fluid ◽  
Lennard Jones ◽  
Good Agreement

In the present work, an extension of the scaled particle theory (ESPT) for fluid using computer algebra is developed to obtain an equation of state (EOS), for Lennard-Jones fluid. A suitable functional form for surface tension S(r,d,∊) is assumed with intermolecular separation r as a variable, given below: [Formula: see text] where m is arbitrary real number, and d and ∊ are related to physical property such as average or suitable molecular diameter and the binding energy of the molecule respectively. It is found that, for hard sphere fluid ∊ = 0, the above assumption when introduced in scaled particle theory (SPT) frame and choosing arbitrary real number, m = 1/3, the corresponding EOS is in good agreement with the computer simulation of molecular dynamics (MD) result. Furthermore, for the value of m = -1 it gives a Percus–Yevick (pressure), and for the value of m = 1, it corresponds Percus–Yevick (compressibility) EOS.

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