Strong pressure-energy correlations in van der Waals liquids |
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Authors: | Pedersen Ulf R Bailey Nicholas P Schrøder Thomas B Dyre Jeppe C |
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Affiliation: | DNRF Centre Glass and Time, IMFUFA, Department of Sciences, Roskilde University, Postbox 260, DK-4000 Roskilde, Denmark. |
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Abstract: | Strong correlations between equilibrium fluctuations of the configurational parts of pressure and energy are found in computer simulations of the Lennard-Jones liquid and other simple liquids, but not for hydrogen-bonding liquids such as methanol and water. The correlations that are present also in the crystal and glass phases reflect an effective inverse power-law repulsive potential dominating fluctuations, even at zero and slightly negative pressure. In experimental data for supercritical argon, the correlations are found to be approximately 96%. Consequences for viscous liquid dynamics are discussed. |
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