Abstract
The free energy components of two low pressure crystalline ices and an amorphous form of water are calculated over a wide range of temperatures. The Gibbs free energy at a given temperature is minimized with respect to volume of a system. This enables us to evaluate a thermal expansivity at fixed temperature and pressure from only intermolecular interaction potential. The negative thermal expansivity at low temperature is obtained for both crystalline ices and an amorphous form, which arises from the bending motion of hydrogen bonded molecules.
| Original language | English |
|---|---|
| Pages (from-to) | 323-332 |
| Number of pages | 10 |
| Journal | Journal of Molecular Liquids |
| Volume | 90 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - Feb 1 2001 |
| Event | 26th International Conference on Solution Chemistry (26 ICSC) - Fukuoka, Japan Duration: Jul 26 1999 → Jul 31 1999 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Spectroscopy
- Physical and Theoretical Chemistry
- Materials Chemistry