Extracting the Pair Correlation Function from Structure Factor Data by Monte Carlo Simulation

1989 ◽  
pp. 189-194 ◽  
Author(s):  
A. K. Soper
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Correlation Function ◽  
Structure Factor ◽  
Pair Correlation Function ◽  
Pair Correlation ◽  
Factor Data

The Pair Correlation Function of the Liquid-Vapour Interface: A Monte Carlo Calculation

1979 ◽  
Vol 34 (10) ◽  
pp. 1236-1238
Author(s):  
B. Borštnik ◽  
A. Ažman
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Correlation Function ◽  
Density Profile ◽  
Pair Correlation Function ◽  
Monte Carlo Calculation ◽  
Pair Correlation ◽  
Low Density ◽  
Density Region ◽  
New Information

Abstract A Monte Carlo simulation of the liquid-vapour interface near the triple point is reported. A monotonic density profile is obtained. In the entire interface the pair correlation function g(r) was found to be very close to the liquid bulk g(r), except for the low density region (ϱ(z)/(ϱliq ≦ 0.25 ) where information was inaccessible. The behaviour of the solution of the BGYB equation for the density profile is explored in the context of the new information concerning the pair correlation function in the interface.

Monte Carlo simulation results for the full pair correlation function of the hard dumbell fluid

1981 ◽  
Vol 43 (6) ◽  
pp. 1471-1475 ◽  
Author(s):  
Peter Cummings ◽  
Ivo Nezbeda ◽  
William R. Smith ◽  
Gary Morriss
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Correlation Function ◽  
Pair Correlation Function ◽  
Pair Correlation ◽  
Simulation Results

Monte Carlo Simulation of the Interfaces Liquid-Crystal and Liquid-Rigid Wall

1978 ◽  
Vol 33 (12) ◽  
pp. 1557-1561 ◽  
Author(s):  
B. Borštnik ◽  
A. Ažman
Keyword(s):  
Monte Carlo ◽  
Correlation Function ◽  
Liquid Crystal ◽  
Pair Correlation Function ◽  
Hard Spheres ◽  
Pair Correlation ◽  
Rigid Wall ◽  
Bulk Liquid ◽  
Lennard Jones ◽  
The Monte Carlo Method

Abstract The structure of liquids at liquid-crystal and liquid-rigid wall interfaces was studied by the Monte Carlo method on systems consisting of either 128 Lennard-Jones atom s or 128 hard spheres. The resulting density profile can serve as a reference for the approximative methods based on the BGYB hierarchy of integral equations. The pair correlation function close to the rigid wall is found to deviate appreciably from the bulk liquid pair correlation function. The maxima and minima of g(r) are more pronounced in the first two layers of atom s close to the rigid wall.

Sign in / Sign up

Export Citation Format

Share Document