Mobility of Stretched Water
Abstract
To study the mobility of stretched SPC/E water and its dependance on temperature and density we performed five molecular dynamics computer simulation runs. Three runs were performed at temperature 300 K and densities 1.0 g/cc, 0.9 g/cc and 0.8 g/cc. Two more runs were performed at temperature 273 K and densities 1.0 g/cc and 0.9 g/cc. At temperature 300 K the translational diffusion coefficient of the stretched SPC/E water increased with the stretch, at temperature 273 K the translational diffusion decreased with the stretch. This behavior is correlated with the observed changes in the hydrogen bonding pattern of water. Water structure, Diffusion coefficient
Document Details
- Document Type
- Technical Report
- Publication Date
- May 01, 1993
- Accession Number
- ADA273454
Entities
People
- I. Vaisman
- L. Perera
- Max L. Berkowitz
Organizations
- University of North Carolina at Chapel Hill