Abstract
Relationship between thermodynamics and dynamics of supercooled liquids was investigated. Experiments and computer simulations reveal a quantitative link between dynamics and configurational entropy in supercooled liquids. Excess entropy, a fundamental thermodynamic quantity that captures the correlations between particles due to their finite volumes and mutual interactions, does capture the diffusivity of equilibrium fluids. Simulations for a broad range of thermodynamic conditions were performed, where the model displays pronounced increase in self-diffusivity upon isothermal compression. The results presented evidence that supercooling a fluid modifies its diffusivity, suggesting that dynamics, from ideal gas to glass, is related to a single, standard therodynamic quantity.
| Original language | English |
|---|---|
| Article number | 076102 |
| Journal | Journal of Chemical Physics |
| Volume | 125 |
| Issue number | 7 |
| DOIs | |
| State | Published - 2006 |
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