TY - JOUR
T1 - Cavity distribution in liquid water and hydrophobic hydration
AU - Tanaka, Hideki
N1 - Funding Information:
This work is supported by Grant-in-Aid from the Ministry of Education, Science and Culture and also by the Computer Center of Institute for Molecular Science.
PY - 1998/1/9
Y1 - 1998/1/9
N2 - Cavity distributions are examined in liquid water, a Lennard-Jones fluid and an artificial liquid having the same molecular arrangement as water at 25 °C and 1 g/cm-3. It is found that the chemical potential of cavity formation is much reduced in liquid water compared with that of the artificial liquid. This arises from a difference in fluctuation of coordination number around a central molecule. A structural enhancement in water is observed near a large cavity.
AB - Cavity distributions are examined in liquid water, a Lennard-Jones fluid and an artificial liquid having the same molecular arrangement as water at 25 °C and 1 g/cm-3. It is found that the chemical potential of cavity formation is much reduced in liquid water compared with that of the artificial liquid. This arises from a difference in fluctuation of coordination number around a central molecule. A structural enhancement in water is observed near a large cavity.
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U2 - 10.1016/S0009-2614(97)01234-7
DO - 10.1016/S0009-2614(97)01234-7
M3 - Article
AN - SCOPUS:0032497984
VL - 282
SP - 133
EP - 138
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 2
ER -