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Title: 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 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.
Authors:
 [1] ;  [2] ;  [1] ; ;  [3]
  1. LMAM and School of Mathematical Sciences, Peking University, Beijing (China)
  2. (China)
  3. Institute for Mathematics, Freie Universit├Ąt Berlin (Germany)
Publication Date:
OSTI Identifier:
22253668
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 1; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; LIQUIDS; MIXTURES; MOLECULAR DYNAMICS METHOD; PARTICLES; PHASE TRANSFORMATIONS; SIMULATION; SOLIDS; VAPORS