scholarly journals Monte Carlo simulation and reference hypernetted chain equation results for structural, thermodynamic, and dielectric properties of polar heteronuclear diatomic fluids

1996 ◽  
Vol 104 (17) ◽  
pp. 6710-6718 ◽  
Author(s):  
M. Lombardero ◽  
C. Martín ◽  
E. Lomba ◽  
F. Lado
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Dielectric Properties ◽  
Chain Equation ◽  
Hypernetted Chain

Comparison of Hypernetted Chain Equation and Monte Carlo Results for a System of Charged Hard Spheres

1970 ◽  
Vol 52 (2) ◽  
pp. 1013-1014 ◽  
Author(s):  
P. N. Vorontsov‐Veliaminov ◽  
A. M. Eliashevich ◽  
J. C. Rasaiah ◽  
H. L. Friedman
Keyword(s):  
Monte Carlo ◽  
Hard Spheres ◽  
Chain Equation ◽  
Hypernetted Chain ◽  
Charged Hard Spheres

scholarly journals Ionic solution near an uncharged surface with image forces

1981 ◽  
Vol 59 (13) ◽  
pp. 1998-2003 ◽  
Author(s):  
T. Croxton ◽  
D. A. McQuarrie ◽  
G. N. Patey ◽  
G. M. Torrie ◽  
J. P. Valleau
Keyword(s):  
Dielectric Constant ◽  
Monte Carlo ◽  
Monte Carlo Data ◽  
Ion Density ◽  
Primitive Model ◽  
Monte Carlo Computation ◽  
Restricted Primitive Model ◽  
Integral Equation Approach ◽  
Chain Equation ◽  
Hypernetted Chain

We studied the ion density in a dilute electrolyte solution which is next to an uncharged surface at which there is a discontinuity in the dielectric constant. In particular, we treated the restricted primitive model of a 1–1 aqueous solution next to a pure phase of unit dielectric constant. This served as a primitive model of the interface between an electrolytic solution and the air. Monte Carlo data are presented: the image forces are included and treated exactly. The model was also treated using the Born–Green–Yvon (BGY) integral equation approach; a modification of BGY theory which ensures electroneutrality is in very good agreement with the Monte Carlo data. The use of a "screened self-image" approximation to the potential energy has been tested using Monte Carlo computation and is found to be inadequate for the present model. Hypernetted-chain equation results using this approximation are also reported.

Monte Carlo simulation of dielectric properties of a mixed spin-3/2 and spin-5/2 Ising ferrielectric nanowires

2017 ◽  
Vol 507 (1) ◽  
pp. 58-68 ◽  
Author(s):  
Y. Benhouria ◽  
I. Essaoudi ◽  
A. Ainane ◽  
R. Ahuja ◽  
F. Dujardin
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Dielectric Properties ◽  
Mixed Spin

scholarly journals Electron swarm parameters of SF6 under time varying electric fields

2020 ◽  
Vol 9 (1) ◽  
pp. 6
Author(s):  
A. Settaouti
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Dielectric Properties ◽  
Electric Fields ◽  
Sulfur Hexafluoride ◽  
Time Varying ◽  
Number Density ◽  
Gas Molecules ◽  
Background Gas ◽  
Significant Attention

<span>The electron swarm parameters in gases are necessary for the simulations of plasma processes. The sulfur hexafluoride (SF6) has enormous applications suitability, because of its excellent dielectric properties, it is a gas used extensively as an insulating gas in various electric devices. Consequently, we must dedicate a significant attention to studying the physical properties of this gas. An investigation has brought into effect on the electron swarms parameters in SF6 gas in time varying electric fields using a Monte Carlo simulation. Swarm parameters as a function of instantaneous E/N (E is the electric field and N the gas number density of background gas molecules) for different dE/dt are determined.</span>

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