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Goncalves D.,Separation Engineering Laboratory LES | Teschke M.E.E.,Separation Engineering Laboratory LES | Koshima C.C.,Separation Engineering Laboratory LES | Goncalves C.B.,Separation Engineering Laboratory LES | And 2 more authors.
Fluid Phase Equilibria | Year: 2015

Essential oils have many industrial applications and are basically composed of terpene hydrocarbons and oxygenated compounds. To improve their stability, sensorial quality, flavoring capacity and, consequently, their commercial value, the removal of hydrocarbon compounds is achieved by a fractionation process that can be performed by liquid-liquid extraction. In this work, a phase equilibrium study of real systems composed of crude orange essential oil and hydroalcoholic solvents (ethanol and water mixtures) was conducted and UNIQUAC and NRTL binary interaction parameters available in the literature were tested without success for the description of phase compositions. To obtain reliable parameters that provide a good description of the phase composition and can be used for computational simulation, liquid-liquid equilibrium data for model systems composed of limonene, linalool, ethanol and water at 298.2. K were determined and used to adjust new binary interaction parameters of UNIQUAC and NRTL thermodynamic models. Concerning the physical-chemical behavior of the system, the increase in the water content of solvent was observed to promote a decrease in the migration of oxygenated compounds to the solvent-rich phase and in the mutual solubility of the compounds. The increase in the composition of the oxygenated compounds in the system resulted in an increased solubility of these oxygenated compounds and a consequent decreased solvent selectivity. The new set of parameters provided a satisfactory representation of the experimental data, with global deviations of up to a 0.0031 mass fraction in the prediction process, which indicates that these parameters may be very useful in the optimization of the fractionation process by computational simulation. © 2015 Elsevier B.V. Source


Koshima C.C.,Separation Engineering Laboratory LES | Nakamoto K.T.,Separation Engineering Laboratory LES | Aracava K.K.,Separation Engineering Laboratory LES | Oliveira A.L.,University of Sao Paulo | Rodrigues C.E.C.,Separation Engineering Laboratory LES
Journal of Chemical and Engineering Data | Year: 2014

Essential oils are primarily composed of terpenic hydrocarbons and oxygenated compounds, which impart the most pronounced flavors and the best sensory properties, whereas terpenic hydrocarbons tend to decompose when heated or exposed to air, resulting in a loss of sensorial quality. Liquid extraction technology using hydrous ethanol as a solvent can be employed to reduce the amount of terpenic hydrocarbons (deterpenation) in essential oils, thereby improving their quality and shelf life. In this paper, liquid-liquid equilibrium data that have not previously been published concerning systems composed of bergamot and lavandin crude essential oils and hydroalcoholic solvents at 298.2 K are presented. It was observed that an increase in the water content in the solvent leads to a decrease in the extraction of compounds and to an enhancement in the selectivity of the solvent. The bergamot oil exhibited a lower system solubility compared with lavandin oil systems. The experimental equilibrium data were compared to the phase compositions calculated using NRTL and UNIQUAC interaction parameters, which were previously adjusted by Chiyoda et al.1 [J. Chem. Eng. Data 2011, 56, 2362-2370], and the best phase composition description was associated with the bergamot crude essential oil. © 2014 American Chemical Society. Source


Capellini M.C.,Separation Engineering Laboratory LES | Carvalho F.H.,Separation Engineering Laboratory LES | Koshima C.C.,Separation Engineering Laboratory LES | Aracava K.K.,Separation Engineering Laboratory LES | And 2 more authors.
Journal of Chemical Thermodynamics | Year: 2015

The deterpenation process of essential oils consists of terpene removal and a consequent concentration of oxygenated compounds, which increases the sensorial quality, the aromatic potential and the oxidative stability of the oil. Deterpenation of oregano (Origanum vulgare L., Lamiaceae) essential oil, which has been used extensively as a popular medication and as an antimicrobial, antifungal, antimutagenic and a powerful antioxidant agent, can be performed by (liquid + liquid) extraction using hydroalcoholic solvents. This research presents (liquid + liquid) equilibrium data for model systems composed of p-cymene, thymol, terpinen-4-ol and α-terpineol, some of the main components of oregano essential oil, using hydrous ethanol as the solvent with the water mass fraction ranging from 0.28 to 0.41 at T = (298.2 ± 0.1) K. The results show that an increase in the hydration of the alcoholic solvent causes a negative influence on the values of the distribution coefficient for the three oxygenated compounds (thymol, terpinen-4-ol and α-terpineol), with an increase in solvent selectivity. An increase in the content of oxygenated compounds in the terpene-rich phase reduces their distribution coefficients and the selectivity values. In addition, binary interaction parameters were estimated correlating the experimental data using the NRTL and UNIQUAC thermodynamic models, and the global deviations were lower than 0.0060 for all systems, indicating that both molecular models show a good descriptive performance. © 2015 Elsevier Ltd. All rights reserved. Source

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