# Density-scaling exponents and virial potential-energy correlation coefficients for the (2n, n) Lennard-Jones system

- Authors:
- DOI:
- 10.1007/s12039-017-1307-1
- Abstract:
- This paper investigates the relation between the density-scaling exponent γ and the virial potentialenergy coefficient R at several thermodynamic state points in three dimensions for the generalized (2n, n) Lennard-Jones (LJ) system for n = 4, 9, 12, 18, as well as for the standard n = 6 LJ system in two, three, and four dimensions. The state points studied include many low-density states at which the virial potentialenergy correlations are not strong. For these state points we find the roughly linear relation γ ∼= 3n R/d in d dimensions. This result is discussed in light of the approximate “extended inverse power law” description of generalized LJ potentials (Bailey N P et al. 2008 J. Chem. Phys. 129 184508). In the plot of γ versus R there is in all cases a transition around R ≈ 0.9, above which γ starts to decrease as R approaches unity. This is consistent with the fact that γ → 2n/d for R → 1, a limit that is approached at high densities and/or high temperatures at which the repulsive r−2n term dominates the physics.
- Type:
- Journal article
- Language:
- English
- Published in:
- Journal of Chemical Sciences, 2017, Vol 129, Issue 7, p. 919-928
- Keywords:
- Lennard-Jones type liquids; isomorphs; density scaling; virial potential-energy correlations
- Main Research Area:
- Science/technology
- Publication Status:
- Published
- Review type:
- Peer Review
- Submission year:
- 2018
- Scientific Level:
- Scientific
- ID:
- 2371839689