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

submitted on 09.04.2020, 13:41 and posted on 10.04.2020, 09:53 by Douglas Barlow
The carbon disulfide-methanol liquid-liquid critical point is studied using a Monte
Carlo simulation of classical Stockmayer particles. A low energy configuration for the segregated
two component system is determined using standard Monte Carlo methods then a modified
Gibbs ensemble is employed to study the effect of transferring particles from one phase to
another. Rather than use the model for the entropy of mixing in the Gibbs ensemble, which is
of the regular solution type, a semi-quasi-chemical model is used which involves an interaction
energy. We are able to simulate the mixing of the two components as the temperature approaches
the critical temperature from below. Further, a method is given whereby the simulation results
can be used to predict the critical temperature.


Email Address of Submitting Author


Alderman Barlow Labs



ORCID For Submitting Author


Declaration of Conflict of Interest



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