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The study of hydrophobicity in water–methanol and water–tert-butanol mixtures |
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| Authors: | M. Kiselev D. Ivlev |
| Affiliation: | Institute of Solution Chemistry of the RAS, Akademicheskaya Street 1, 153045, Ivanovo, Russia |
| Abstract: | Molecular dynamics simulations have been performed for water–methanol and water–tertiary butyl alcohol mixtures in the water rich region. Nonlinear heat capacity and viscosity behavior as functions of concentration has been examined at the molecular level. The collective modes leading to enhancement of potential energy fluctuation and as consequence to heat capacity maximum has been found and discussed. |
| Keywords: | Molecular dynamics simulation Hydrophobic hydration Heat capacity Viscosity |
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