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- W2367748071 abstract "The densities of the cyclopentanone(CPN) and methanol binary mixtures were measured in the entire molar composition range at 283.15-333.15 K and atmospheric pressure.From the experimental data the excess molar volumes were calculated.The results show that the excess molar volumes have negative deviation in the entire composition range and at the determining temperatures,which means the association between unlike molecules is stronger than that between the same molecules.The hydrogen-bonding structures and properties of the CPN-methanol hydrogen-bonding complexes were investigated theoretically by using B3LYP/6-311++G(d,p) method,and two stable hydrogen-bonding complexes were obtained by geometry optimization and vibration analysis.The changes of thermodynamic properties from the monomers to hydrogen-bonding complexes at 200.00-800.00 K were obtained using the statistical thermodynamic method.It reveals that the formation of the CPN-methanol hydrogen-bonding complex is an exothermic,entropy reduced and non-spontaneous thermodynamic process." @default.
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- W2367748071 date "2013-01-01" @default.
- W2367748071 modified "2023-09-24" @default.
- W2367748071 title "Thermodynamic properties of cyclopentanone-methanol hydrogen-bonding complexes" @default.
- W2367748071 hasPublicationYear "2013" @default.
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