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Review and Thermodynamic Modeling with NRTL Model of Vapor–Liquid Equilibria (VLE) of Aroma Compounds Highly Diluted in Ethanol–Water Mixtures at 101.3 kPa

Abstract : A review of the vapor-liquid equilibrium data of aroma compounds highly diluted in hydroalcoholic mixtures at 101.3 kPa is presented. The study includes 44 aroma compounds present in distilled beverages from seven chemical families: acetals, alcohols, carbonyl compounds, carboxylic acids, esters, furans, and terpenes. The equilibrium data are modeled using the ideal gas hypothesis (with a correction term for dimerization in the case of carboxylic acids) and the NRTL model. A set of binary interaction parameters is generated, and the quality of the representation is evaluated. A classification of the aroma compounds in terms of their relative volatility with respect to ethanol and water is proposed over the whole ethanol composition range in the liquid phase. Finally, a comparison with the representation obtained when using interaction parameters calculated from binary and ternary mixture data at high concentrations is performed in order to evaluate the extrapolation capability of the NRTL model.
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https://hal.archives-ouvertes.fr/hal-02063567
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Submitted on : Monday, March 11, 2019 - 12:07:45 PM
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Long-term archiving on: : Wednesday, June 12, 2019 - 2:33:00 PM

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Cristian Puentes, Xavier Joulia, Violaine Athès, Martine Esteban-Decloux. Review and Thermodynamic Modeling with NRTL Model of Vapor–Liquid Equilibria (VLE) of Aroma Compounds Highly Diluted in Ethanol–Water Mixtures at 101.3 kPa. Industrial and engineering chemistry research, American Chemical Society, 2018, 57 (10), pp.3443-3470. ⟨10.1021/acs.iecr.7b03857⟩. ⟨hal-02063567⟩

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