Selection of Ionic Liquids to be Used as Separation Agents for Terpenes and Terpenoids
authors Martins, MAR; Domanska, U; Schroder, B; Coutinho, JAP; Pinho, SP
nationality International
journal ACS SUSTAINABLE CHEMISTRY & ENGINEERING
author keywords Terpenes; Terpenoids; Ionic liquids; Activity coefficients at infinite dilution; COSMO-RS; Selectivity; Capacity
keywords CITRUS ESSENTIAL OIL; ACTIVITY-COEFFICIENTS; INFINITE DILUTION; ORGANIC SOLUTES; ALPHA-PINENE; BETA-PINENE; WATER; TEMPERATURE; EXTRACTION; MIXTURES
abstract In this work, ionic liquids are evaluated for the first time as solvents for extraction and entrainers in separation processes involving terpenes and terpenoids. For that purpose, activity coefficients at infinite dilution, gamma(infinity)(13), of terpenes and terpenoids, in the ionic liquids [C(4)mim]Cl, [C(4)mim][CH3SO3], [C(4)mim][(CH3)(2)PO4] and [C(4)mim][CF3SO3] were determined by gas liquid chromatography at six temperatures in the range 398.15 to 448.15 K On the basis of the experimental values, a correlation of gamma(infinity)(13) with an increase of the solubility parameters is proposed. The infinite dilution thermodynamic functions were calculated showing the entropic effect is dominant over the enthalpic. Gas liquid partition coefficients give indications about the recovery and purification of terpenes and terpenoids from ionic liquid solutions. Presenting a strong innovative character, COSMO-RS was evaluated for the description of the selectivities and capacities, showing to be a useful tool for the screening of ionic liquids in order to find suitable candidates for terpenes and terpenoids extraction, and separation. COSMO-RS predictions show that in order to achieve the maximum separation efficiency, polar anions should be used such as bis(2,4,4-trimethylpentyl)phosphinate or acetate, whereas high capacities require nonpolar cations such as phosphonium.
publisher AMER CHEMICAL SOC
issn 2168-0485
year published 2016
volume 4
issue 2
beginning page 548
ending page 556
digital object identifier (doi) 10.1021/acssuschemeng.5b01357
web of science category Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical
subject category Chemistry; Science & Technology - Other Topics; Engineering
unique article identifier WOS:000369347800021
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journal impact factor (jcr 2016): 5.951
5 year journal impact factor (jcr 2016): 6.079
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