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Role of nonadditive forces on the structure and properties of liquid water

✍ Scribed by Li, Jianhui; Zhou, Zhongwu; Sadus, Richard J.

Book ID
120465457
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
412 KB
Volume
127
Category
Article
ISSN
0021-9606

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## Abstract We study bulk structural and thermodynamic properties of methanol–water solutions via molecular dynamics simulations using novel interaction potentials based on the charge equilibration (fluctuating charge) formalism to explicitly account for molecular polarization at the atomic level.