Excess molar enthalpies of R-fenchone + propan-1-ol or +propan-2-ol. Modeling with COSMO-RS and UNIFAC |
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| Institution: | 1. Department of Medicine and Clinical Science, Okayama University Graduate School of Medicine, Dentistry and Pharmaceutical Sciences, 2-5-1 Shikata-cho, Kitaku, Okayama 700-8558, Japan;2. Department of General Medicine, Okayama University Graduate School of Medicine, Dentistry and Pharmaceutical Sciences, 2-5-1 Shikata-cho, Kitaku, Okayama 700-8558, Japan;1. Department of Thermal Engineering, Shandong Jianzhu University, Jinan, China;2. Renewable Energy Research Group, The Hong Kong Polytechnic University, Hong Kong, China;3. Shandong Provincial Architectural Design Institute, Jinan, China;1. Key Laboratory of Thermo-Fluid Science and Engineering, Ministry of Education, Xi’an Jiaotong University, Xi’an, Shaanxi Province, 710049, PR China;2. State Key Laboratory of Power System of Tractor, Luoyang, Henan Province, 471039, PR China;1. Key Laboratory of Soft Chemistry and Functional Materials of Education Ministry, Nanjing University of Science and Technology, Nanjing 210094, China;3. School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, China |
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| Abstract: | In this paper, experimental excess molar enthalpies for the binary mixtures of R-fenchone with propan-1-ol or propan-2-ol, at four temperatures (283.15, 298.15, 313.15 and 328.15) K and atmospheric pressure are reported over the entire composition range. They have been fitted to the Redlich–Kister equation at each temperature. Excess molar enthalpies are positive in all cases, being greater for the mixture with propan-2-ol than for the mixture with propan-1-ol. These positive values of the excess enthalpy suggest the predominance of the effect due to hydrogen bond breaking over the interaction between dissimilar molecules in the mixture. Finally UNIFAC (Dortmund) method and the Quantum Continuum Method COSMO-RS have been used to predict the excess molar enthalpies. Better predictions are obtained in the case of UNIFAC model. |
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| Keywords: | Excess molar enthalpy R-fenchone Propan-1-ol Propan-2-ol UNIFAC COSMO-RS |
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