Strongly correlating liquids

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Strongly correlating liquids are defined as those for whom \(R \ge 0.9\) where (Eq. 6 [1])

\[R=\frac{\langle \Delta \mathcal{V} \Delta U \rangle}{ \sqrt{ \langle (\Delta \mathcal{V})^2 \rangle \langle (\Delta U)^2 \rangle } }\]

where \(\Delta U\) represents fluctuations of the potential in the NVT ensemble and \(\mathcal{V}\) is the virial (see also Virial pressure).

[edit] Isomorphs

[2]

[edit] Lennard-Jones liquid

The liquid phase formed by the Lennard-Jones model is an example of a strongly correlating liquid[3].

[edit] References

  1. Nicholas P. Bailey, Ulf R. Pedersen, Nicoletta Gnan, Thomas B. Schrøder, and Jeppe C. Dyre "Pressure-energy correlations in liquids. I. Results from computer simulations", Journal of Chemical Physics 129 184507 (2008)
  2. Nicoletta Gnan, Thomas B. Schrøder, Ulf R. Pedersen, Nicholas P. Bailey, and Jeppe C. Dyre "Pressure-energy correlations in liquids. IV. “Isomorphs” in liquid phase diagrams", Journal of Chemical Physics 131 234504 (2009)
  3. Thomas B. Schrøder, Nicoletta Gnan, Ulf R. Pedersen, Nicholas P. Bailey, and Jeppe C. Dyre "Pressure-energy correlations in liquids. V. Isomorphs in generalized Lennard-Jones systems", Journal of Chemical Physics 134 164505 (2011)
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