Is there a third order phase transition for supercritical fluids?

We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiment...

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Bibliographic Details
Published in:The Journal of chemical physics 2014-01, Vol.140 (1), p.014502-014502
Main Authors: Zhu, Jinglong, Zhang, Pingwen, Wang, Han, Site, Luigi Delle
Format: Article
Language:English
Subjects:
Computational fluid dynamics
Computer simulation
Critical point
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
LIQUIDS
MIXTURES
Molecular dynamics
MOLECULAR DYNAMICS METHOD
Organic chemistry
PARTICLES
PHASE TRANSFORMATIONS
Phase transitions
Physics
SIMULATION
SOLIDS
Supercritical fluids
Thermodynamic properties
VAPORS
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Summary:We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiments which instead suggest not only its existence but also its universality regarding the chemical nature of the fluid. We argue that our results are solid enough to go beyond the limitations of MD and the generic character of L-J models, thus suggesting a rather smooth liquid-vapor thermodynamic behavior of fluids in supercritical regime.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4855656