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 2001 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics
Cite this
Hydrogen bonds between water molecules : Thermal expansivity of ice and water. / Tanaka, Hideki.
In: Journal of Molecular Liquids, Vol. 90, No. 1-3, 02.2001, p. 323-332.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Hydrogen bonds between water molecules
T2 - Thermal expansivity of ice and water
AU - Tanaka, Hideki
PY - 2001/2
Y1 - 2001/2
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0035245811&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035245811&partnerID=8YFLogxK
U2 - 10.1016/S0167-7322(01)00136-2
DO - 10.1016/S0167-7322(01)00136-2
M3 - Article
VL - 90
SP - 323
EP - 332
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
SN - 0167-7322
IS - 1-3
ER -