title: Pressure-energy correlations in liquids. III. Statistical mechanics and thermodynamics of liquids with hidden scale invariance.
abstract: In this third paper of the series, which started with Bailey et al. [J. Chem. Phys. 129, 184507 (2008); ibid. 129, 184508 (2008)], we continue the development of the theoretical understanding of strongly correlating liquids--those whose instantaneous potential energy and virial are more than 90% correlated in their thermal equilibrium fluctuations at constant volume. The existence of such liquids was detailed in previous work, which identified them, based on computer simulations, as a large class of liquids, including van der Waals liquids but not, e.g., hydrogen-bonded liquids. We here discuss the following: (1) the scaling properties of inverse power-law and extended inverse power-law potentials (the latter includes a linear term that "hides" the approximate scale invariance); (2) results from computer simulations of molecular models concerning out-of-equilibrium conditions; (3) ensemble dependence of the virial/potential-energy correlation coefficient; (4) connection to the Grüneisen parameter; and (5) interpretation of strong correlations in terms of the energy-bond formalism.
authors.affiliation: DNRF Center Glass and Time, IMFUFA, Department of Sciences, Roskilde University, P.O. Box 260, DK-4000 Roskilde, Denmark. tbs@ruc.dk
authors.forename: Thomas B
authors.initials: TB
authors.lastname: Schrøder
authors.forename: Nicholas P
authors.initials: NP
authors.lastname: Bailey
authors.forename: Ulf R
authors.initials: UR
authors.lastname: Pedersen
authors.forename: Nicoletta
authors.initials: N
authors.lastname: Gnan
authors.forename: Jeppe C
authors.initials: JC
authors.lastname: Dyre