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J Chem Phys. 2008 Sep 28;129(12):124502. doi: 10.1063/1.2970884.

Phase diagram of a square-shoulder, square-well fluid revisited.

The Journal of chemical physics

W Rzysko, O Pizio, A Patrykiejew, S Sokolowski

Affiliations

  1. Department for the Modeling of Physico-Chemical Processes, Maria Curie-Sk?odowska University, 20-031 Lublin, Poland.

PMID: 19045031 DOI: 10.1063/1.2970884

Abstract

We report here the phase diagrams for a model square-shoulder, square-well fluid obtained by histogram reweighting Monte Carlo simulations. The critical points corresponding to the gas-liquid condensation and to the liquid-liquid transition have been located. Also, we have estimated the temperatures and densities at the triple points. We believe that our results are more precise and complete than those published so far.

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