TY - JOUR
T1 - Hydrogen bonds between water molecules
T2 - 26th International Conference on Solution Chemistry (26 ICSC)
AU - Tanaka, Hideki
N1 - Funding Information:
The author thanks Prof. R. J. Speedy and Dr. 0. Mishima for useful discussion on the origin the negative thermal expansivity. He is also grateful to I. Okabe for providing proton-disordered ice Ih and Ic. This work is supported partially by Grant-in-Aid by the Ministry of Education. Most of calculation was carried out with the use of supercomputers in Institute for Molecular Science.
Copyright:
Copyright 2007 Elsevier B.V., All rights reserved.
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.
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U2 - 10.1016/S0167-7322(01)00136-2
DO - 10.1016/S0167-7322(01)00136-2
M3 - Conference article
AN - SCOPUS:0035245811
VL - 90
SP - 323
EP - 332
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
SN - 0167-7322
IS - 1-3
Y2 - 26 July 1999 through 31 July 1999
ER -