Accurate simulation estimates of phase behaviour in ternary mixtures with prescribed composition

Details Accurate simulation estimates of phase behaviour in ternary mixtures with prescribed composition Accurate simulation estimates of phase behaviour in ternary mixtures with prescribed composition

2011-04-05

arxiv.org/abs/1104.0830v1

Physics

Condensed Matter

Statistical Mechanics

6 pages, 3 figures

Scientific paper

This paper describes an isobaric semi-grand canonical ensemble Monte Carlo scheme for the accurate study of phase behaviour in ternary fluid mixtures under the experimentally relevant conditions of prescribed pressure, temperature and overall composition. It is shown how to tune the relative chemical potentials of the individual components to target some requisite overall composition and how, in regions of phase coexistence, to extract accurate estimates for the compositions and phase fractions of individual coexisting phases. The method is illustrated by tracking a path through the composition space of a model ternary Lennard-Jones mixture.

Affiliated with

Also associated with

No associations

Rating

Accurate simulation estimates of phase behaviour in ternary mixtures with prescribed composition does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Accurate simulation estimates of phase behaviour in ternary mixtures with prescribed composition, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Accurate simulation estimates of phase behaviour in ternary mixtures with prescribed composition will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-321324