scholarly journals Virial expansions and augmented van der Waals approach: Application to Lennard-Jones-like Yukawa fluid

2015 ◽  
Vol 18 (1) ◽  
pp. 13501 ◽  
Author(s):  
Trokhymchuk ◽  
Melnyk ◽  
Nezbeda
Keyword(s):  
Van Der Waals ◽  
Lennard Jones ◽  
Yukawa Fluid

Phase diagram for the Lennard-Jones fluid modelled by the hard-core Yukawa fluid

1996 ◽  
Vol 87 (6) ◽  
pp. 1459-1462 ◽  
Author(s):  
Yu.V. Kalyuzhnyi ◽  
P.T. Cummings
Keyword(s):  
Phase Diagram ◽  
Hard Core ◽  
Lennard Jones ◽  
Yukawa Fluid

Effect of the shape of simulation box on the Van der Waals loop of a Lennard-Jones fluid

1998 ◽  
Vol 282 (2) ◽  
pp. 128-132 ◽  
Author(s):  
H. Takahashi ◽  
A. Nakamura ◽  
T. Nitta
Keyword(s):  
Van Der Waals ◽  
Lennard Jones

Beyond the Van Der Waals loop: What can be learned from simulating Lennard-Jones fluids inside the region of phase coexistence

2012 ◽  
Vol 80 (12) ◽  
pp. 1099-1109 ◽  
Author(s):  
Kurt Binder ◽  
Benjamin J. Block ◽  
Peter Virnau ◽  
Andreas Tröster
Keyword(s):  
Van Der Waals ◽  
Phase Coexistence ◽  
Lennard Jones

The density profile and surface tension of a Lennard-Jones fluid from a generalized van der Waals theory

1979 ◽  
Vol 38 (2) ◽  
pp. 367-375 ◽  
Author(s):  
M.M. Telo Da Gama ◽  
R. Evans
Keyword(s):  
Surface Tension ◽  
Density Profile ◽  
Van Der Waals ◽  
Lennard Jones ◽  
Van Der Waals Theory

Spectra of H2–Ar, H2–Kr, and H2–Xe Van der Waals Complexes in Pressure-Induced Infrared Absorption

1971 ◽  
Vol 49 (2) ◽  
pp. 230-242 ◽  
Author(s):  
A. K. Kudian ◽  
H. L. Welsh
Keyword(s):  
Infrared Absorption ◽  
Path Length ◽  
Vibrational State ◽  
Van Der Waals ◽  
Rotational Quantum Number ◽  
Van Der Waals Complexes ◽  
Intermolecular Potential ◽  
Combination Rules ◽  
Ground Vibrational State ◽  
Lennard Jones

Spectra of H2–Ar, H2–Kr, and H2–Xe Van der Waals complexes, accompanying the Q1(0), Q1(1), S1(0), and S1(1) transitions of the pressure-induced fundamental infrared absorption band of hydrogen, have been studied in gas mixtures at 93–180 °K with a path length of 13 m and total pressures of ~3 atm. The main features of the spectra correspond to rotational transitions in the ground vibrational state of the complex, i.e., resolved T and N lines (Δl = ± 3) and unresolved R and P lines (Δl = ± 1), where l is the rotational quantum number of the complex. The spectra are analyzed with eigenvalues derived from the wave-mechanical solution of the isotropic Lennard–Jones 12–6 potential with constants determined from the combination rules for mixed molecular species. Although there is good overall agreement, it is evident that finer details of the spectra will require the introduction of an anisotropic intermolecular potential for their explanation.

The Relationship between Lennard-Jones (12-6) and Morse Potential Functions

2003 ◽  
Vol 58 (11) ◽  
pp. 615-617 ◽  
Author(s):  
Teik-Cheng Lim
Keyword(s):  
Morse Potential ◽  
Morse Function ◽  
Van Der Waals ◽  
Potential Functions ◽  
Van Der Waals Interactions ◽  
Mathematical Relationship ◽  
Lennard Jones ◽  
The Relationship

The most commonly used potentials for van der Waals interactions are the Exponential-6 and the Lennard-Jones (12-6) potential. In this paper a correlation between them is described. The Morse function, which is normally applied for quantifying 2-body interactions, has been adopted in one software. This paper deals with the validity of the Morse function for non-bonded interactions by means of obtaining a relationship between the Morse and the Lennard-Jones (12-6) potential functions. An approximate and an exact mathematical relationship is demonstrated to exist between these two potentials.

Collision Broadening and Shift of the 535.0 nm Tl Line Accompanying the Photodissociation of Thallium Iodide Perturbed by Noble Gases Part II: Effects due to He, Ne and Ar

1981 ◽  
Vol 36 (8) ◽  
pp. 807-812 ◽  
Author(s):  
E. Lisicki ◽  
A. Bielski ◽  
J. Szudy
Keyword(s):  
Noble Gases ◽  
Van Der Waals ◽  
Half Width ◽  
Line Profiles ◽  
Gas Density ◽  
Lennard Jones ◽  
Fabry Perot ◽  
Collision Broadening ◽  
Helium Neon

Abstract The broadening and shift of the 535.0 nm thallium line resulting from the photodissociation of thallium iodide perturbed by helium, neon and argon were investigated at low densities using a photoelectric Fabry-Perot interferometer. The Doppler and collision broadening components of the line profiles have been determined. Linear variations of both the Lorentzian half-width and the shift of the line with the perturbing gas density were found and interpreted in terms of Van der Waals and Lennard-Jones potentials.

RESEARCH NOTE Phase diagram for the Lennard-Jones fluid modelled by the hard-core Yukawa fluid

1996 ◽  
Vol 87 (6) ◽  
pp. 1459-1462 ◽  
Author(s):  
YU. V. KALYUZHNYI
Keyword(s):  
Phase Diagram ◽  
Hard Core ◽  
Research Note ◽  
Lennard Jones ◽  
Yukawa Fluid
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