Author： Lopes J. N. Canongia
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.96, Iss.11, 1999-06, pp. : 1649-1658
Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.
Abstract
A three-box version of the Gibbs ensemble Monte Carlo method was used to determine the phase diagram type of several binary mixtures of one-centre Lennard-Jones particles. The method can be used to establish a direct link between the intermolecular potential modelling the interactions in a given system and its fluid phase diagram, without the knowledge of the corresponding equation of state governing its pV T behaviour. As an example of the application of the method, closed-loop behaviour in an isotropic system could be found using a set of Lennard-Jones parameters exhibiting a cross-interaction diameter with a negative deviation from the Lorentz-Berthelot combination rule.
Related content
Phase diagram of a modified Lennard-Jones system
Journal of Physics: Conference Series , Vol. 215, Iss. 1, 2010-03 ,pp. :
Access to resources
Recommend
Access to resources
The phase diagram of an ensemble of Lennard-Jones particles with flexible shape
By Hahn J.
Molecular Physics, Vol. 96, Iss. 6, 1999-03 ,pp. :