Thermodynamic and structural properties
β
Yang Zhong; G. Lee Warren; Sandeep Patel
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Article
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2008
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John Wiley and Sons
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English
β 545 KB
## Abstract We study bulk structural and thermodynamic properties of methanolβwater 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.