Intermolecular interactions of cis-3-hexen-1-ol or 1-hexanol with n-hexane: Thermodynamic study, FT-IR analysis and quantum chemical calculations
| Autor: | Mirjana Lj. Kijevčanin, Ivona R. Radović, Milana M. Zarić |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Materials science
Double bond Binary mixtures Analytical chemistry 02 engineering and technology 010402 general chemistry 01 natural sciences Spectral line Viscosity chemistry.chemical_compound Molar volume Speed of sound Materials Chemistry Quantum chemical calculations Physical and Theoretical Chemistry Spectroscopy chemistry.chemical_classification Intermolecular force cis-3-Hexen-1-ol 021001 nanoscience & nanotechnology Condensed Matter Physics Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials Hexane FT-IR chemistry Thermophysical properties 0210 nano-technology |
| Zdroj: | Journal of Molecular Liquids |
| Popis: | Thermodynamic properties (density, viscosity, refractive index and speed of sound) of pure substances cis-3-hexen-1-ol, 1-hexanol and n-hexane and their binary systems cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane were measured. All measurements are reported in the range (288.15 to 318.15) K at seven temperatures and at atmospheric pressure. Excess molar volume (V-E), viscosity deviation (Delta eta), refractive index deviation (Delta n(D)) and speed of sound deviation (Delta u) were calculated based on the experimental data. Derivate properties were fitted using Redlich-Kister equation. Additionally, for analyzing the molecular interaction, the FT-IR spectroscopy and quantum chemical calculations were performed. The results show differences in viscosity deviation between cis-3-hexen-1-ol + n-hexane and 1-hexanol + n-hexane mixtures, indicating some specific role of double bonds in properties of the mixtures. The FT-IR spectra indicate change in double bond frequency between pure cis-3-hexen-1-ol and mixture of cis-3-hexen-1-ol + n-hexane, and quantum chemical calculations confirmed the possibility of double bond influence on the properties of the mixtures. |
| Databáze: | OpenAIRE |
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