Correlation of reorientational jumps of water molecules in bulk water

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 May;87(5):052309. doi: 10.1103/PhysRevE.87.052309. Epub 2013 May 24.

Abstract

Recent theoretical and experimental studies suggested the large-amplitude angular jump mechanism of the reorientational motions of water molecules. In this paper, we study the correlation effects of such angular jump motions, which are important for understanding a number of biological processes involving the motions of water molecules, by using molecular dynamics simulations. The results show that large-angular jump motions of a water molecule can enhance the successive jump motions of the same water molecule and the surrounding water molecules. Such a correlation can extend up to a distance of two water layers and is propagated through the perturbations to the local hydrogen bond networks. A detailed molecular picture of the correlation propagation is shown based on the molecular simulations.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation
  • Hydrogen Bonding*
  • Models, Chemical*
  • Models, Molecular*
  • Motion
  • Statistics as Topic
  • Water / chemistry*

Substances

  • Water