scholarly journals Monte Carlo Study of a Liquid-Liquid Phase Transition Using a Modified Gibbs Ensemble

Author(s):  
Douglas Barlow

<div>The carbon disulfide-methanol liquid-liquid critical point is studied using a Monte</div><div>Carlo simulation of classical Stockmayer particles. A low energy configuration for the segregated</div><div>two component system is determined using standard Monte Carlo methods then a modified</div><div>Gibbs ensemble is employed to study the effect of transferring particles from one phase to</div><div>another. Rather than use the model for the entropy of mixing in the Gibbs ensemble, which is</div><div>of the regular solution type, a semi-quasi-chemical model is used which involves an interaction</div><div>energy. We are able to simulate the mixing of the two components as the temperature approaches</div><div>the critical temperature from below. Further, a method is given whereby the simulation results</div><div>can be used to predict the critical temperature.</div>

2020 ◽  
Author(s):  
Douglas Barlow

<div>The carbon disulfide-methanol liquid-liquid critical point is studied using a Monte</div><div>Carlo simulation of classical Stockmayer particles. A low energy configuration for the segregated</div><div>two component system is determined using standard Monte Carlo methods then a modified</div><div>Gibbs ensemble is employed to study the effect of transferring particles from one phase to</div><div>another. Rather than use the model for the entropy of mixing in the Gibbs ensemble, which is</div><div>of the regular solution type, a semi-quasi-chemical model is used which involves an interaction</div><div>energy. We are able to simulate the mixing of the two components as the temperature approaches</div><div>the critical temperature from below. Further, a method is given whereby the simulation results</div><div>can be used to predict the critical temperature.</div>


1989 ◽  
Vol 44 (4) ◽  
pp. 257-261 ◽  
Author(s):  
Sławomir Błonski ◽  
Czesław Bojarski

Abstract Monte Carlo simulations of quantum yield and anisotropy of fluorescence in two-component systems have been conducted with various donor and acceptor concentrations and Förster radii ratios RDAO/RDDO. The influence of excitation migration and trapping on the fluorescence of the viscous solution has been considered. The results of the simulations have shown that steady-state fluorescence of a two-component system depends on the RDAO/RDDO ratio as predicted in LAF theory.


2003 ◽  
Vol 67 (10) ◽  
Author(s):  
S. A. Leonel ◽  
Pablo Zimmermann Coura ◽  
A. R. Pereira ◽  
L. A. S. Mól ◽  
B. V. Costa

AIP Advances ◽  
2022 ◽  
Vol 12 (1) ◽  
pp. 015004
Author(s):  
Sufyan Naji ◽  
Mohammad N. Murshed ◽  
M. A. Ahlam ◽  
Mohamed E. El Sayed ◽  
Ahmed Samir ◽  
...  

2018 ◽  
Vol 63 (2) ◽  
pp. 025013 ◽  
Author(s):  
Charlotte Remy ◽  
Arthur Lalonde ◽  
Dominic Béliveau-Nadeau ◽  
Jean-François Carrier ◽  
Hugo Bouchard

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