Simulation of phase transitions in fluids

Citation
Jj. De Pablo et al., Simulation of phase transitions in fluids, ANN R PH CH, 50, 1999, pp. 377-411
Citations number
137
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ANNUAL REVIEW OF PHYSICAL CHEMISTRY
ISSN journal
0066426X → ACNP
Volume
50
Year of publication
1999
Pages
377 - 411
Database
ISI
SICI code
0066-426X(1999)50:<377:SOPTIF>2.0.ZU;2-B
Abstract
This review provides a discussion of recent techniques for simulation of ph ase equilibria of complex fluids. Monte Carlo methods are emphasized over m olecular 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 inten ded to provide an overview of the main advantages and limitations of each p articular technique. References are provided to allow interested readers to identify and trace back most recent applications of a particular simulatio n technique. We conclude with general guidelines regarding selection of sui table simulation methods for particular problems and systems of interest.