• Title of article

    SIMULATION OF PHASE TRANSITIONS IN FLUIDS

  • Author/Authors

    de Pablo، Juan J. نويسنده , , Yan، Qiliang نويسنده , , Escobedo، Fernando A. نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1999
  • Pages
    35
  • From page
    377
  • To page
    411
  • Abstract
    This review provides a discussion of recent techniques for simulation of phase equilibria of complex fluids. Monte Carlo methods are emphasized over molecular dynamics methods. We describe recent developments, such as the use of expanded-ensemble, tempering, or histogram reweighting techniques. Our discussion of such developments is aimed at a general audience and is intended to provide an overview of the main advantages and limitations of each particular technique. References are provided to allow interested readers to identify and trace back most recent applications of a particular simulation technique. We conclude with general guidelines regarding selection of suitable simulation methods for particular problems and systems of interest.
  • Keywords
    configurational bias , histogram reweighting , expanded ensembles , pseudo-ensembles , Gibbs ensemble
  • Journal title
    Annual Review of Physical Chemistry
  • Serial Year
    1999
  • Journal title
    Annual Review of Physical Chemistry
  • Record number

    121611