A molecular dynamics study has been performed for water over wide ranges of temperature and density. The Carravetta-Clementi intermolecular potential model was applied for a system of 256 molecules. The liquid-vapor coexistence, near-critical and supercritical regions, and the region of compressed liquid having high density were extensively studied. The behavior of hydrogen bonds is analyzed in the present report. The number of bonds per molecule, their lifetime, and temperature-and density-dependences are presented in detail.
|Number of pages||7|
|Journal||Nihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B|
|Publication status||Published - 1995|
- Hydrogen Bonds
- Molecular Dynamics