Home  |  
Style  |  
Sitemap  |  
Svenska  |  
Lund University
 

Water structure and dynamics

The peculiar properties of liquid water result from its dense hydrogen-bond network, but several fundamental questions about the structure and dynamics of water remain unresolved. Water's anomalous physical properties are greatly accentuated in the supercooled regime. For example, the time scale of diffusive molecular motions appears to diverge in power-law fashion just below the homogeneous nucleation temperature. This strange behavior indicates structural heterogeneity and hints at the existence of two forms of liquid water. We use nuclear spin relaxation, quasielastic neutron scattering, molecular dynamics simulations and statistical-mechanical modeling to study the structure and dynamics of liquid water, with the current focus on the supercooled regime.  

 


Legend:
High-field 1H spin relaxation in HDO provides access to the anisotropic magnetic shielding tensor, which reports on the hydrogen-bond geometry (left). By combining spin relaxation data with the magnetic shielding surface obtained from ab initio DFT calculations, the distributions of hydrogen-bond length and angle were derived over a wide temperature range (right).  

K Modig, B G Pfrommer & B Halle, Phys Rev Lett 90, 075502: 1–4 (2003).

 

Previous project          Next project          Group home

Page Manager: Bertil Halle
Webmaster: webmaster@lth.se
Last updated: 2010-02-23