Thermodynamic study of selected monoterpenes III |
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| Affiliation: | 1. Department of Physical Chemistry, Institute of Chemical Technology, Prague, Technická 5, CZ-166 28 Prague 6, Czech Republic;2. Department of Semiconductors, Institute of Physics, Academy of Sciences of the Czech Republic, v. v. i., Cukrovarnická 10, CZ-162 00 Prague 6, Czech Republic;1. Centro de Investigação em Química, CIQ-UP, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto, Portugal;2. Instituto de Ciências Biomédicas Abel Salazar, ICBAS, Universidade do Porto, Rua de Jorge Viterbo Ferreira, 228, 4050-313 Porto, Portugal;1. Department of Mechanical Engineering, Delhi Technological University, Bawana Road, Delhi 110042, India;2. Centre for Energy Studies, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India;1. Department of Physical Chemistry, Kazan Federal University, 18 Kremlevskaya Str., 420008, Kazan, Russia;2. N.N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 4 Kosygina Str., 119991, Moscow, Russia |
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| Abstract: | A thermodynamic study of selected monoterpenes, (−)-trans-pinane, (+)-Δ-carene, eucalyptol, (+)-limonene, and (−)-limonene, is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range (238 to 308) K. Liquid heat capacities were measured by Tian–Calvet calorimetry in the temperature interval (258 to 355) K. The phase behavior was investigated by differential scanning calorimetry (DSC) from T = 183 K. The thermodynamic properties in the ideal-gas state were calculated by combining statistical thermodynamic and density functional theory (DFT) calculations. Calculated ideal-gas heat capacities and experimental data for vapor pressures and condensed phase heat capacities were treated simultaneously to obtain a consistent thermodynamic description. |
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| Keywords: | Monoterpenes Vapor pressure Heat capacity Ideal-gas thermodynamic properties Vaporization and sublimation enthalpy |
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