Abstract
A molecular simulation methodology with the algorithm usually used in equation of state calculations for phase equilibrium is applied to calculations for vapor–liquid equilibria of Lennard–Jones binary mixtures. This method can determine a phase equilibrium of pure substances or multicomponent mixtures by performing a single simulation, and any kinds of methods to determine chemical potentials can be used. The calculations for vapor–liquid equilibria are performed by simulation, with results in agreement with those by a Gibbs ensemble method except near critical points for the mixtures. Good reproducibility of the simulation results by the proposed method is obtained.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
