| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5412251 | Journal of Molecular Liquids | 2012 | 15 Pages |
Abstract
⺠Structural versus thermal fluctuations in ambient and supercooled water. ⺠Simulations show a bimodal distribution as low- (LDL) and high-density (HDL) liquid in the inherent (0 K) structure. ⺠The experimental bimodality is smeared out in simulations due to lack of many-body cooperativity and van der Waals interaction. ⺠We analyze density fluctuations in terms of normal and anomalous contributions to the isothermal compressibility. ⺠Simulations should reproduce the temperature dependence of the isothermal compressibility to describe structural LDL-HDL fluctuations and H-bond dynamics.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Anders Nilsson, Congcong Huang, Lars G.M. Pettersson,