Selection of Ionic Liquids to be Used as Separation Agents for Terpenes and Terpenoids

Monia Martins , Urszula Domańska-Żelazna , Bernd Schroder , Joao A.P. Coutinho , Simao P. Pinho


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, γ13∞, of terpenes and terpenoids, in the ionic liquids [C4mim]Cl, [C4mim][CH3SO3], [C4mim][(CH3)2PO4] and [C4mim][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 γ13∞ 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.
Author Monia Martins
Monia Martins,,
, Urszula Domańska-Żelazna (FC / DPC)
Urszula Domańska-Żelazna,,
- Department Of Physical Chemistry
, Bernd Schroder
Bernd Schroder,,
, Joao A.P. Coutinho
Joao A.P. Coutinho,,
, Simao P. Pinho
Simao P. Pinho,,
Journal seriesACS Sustainable Chemistry & Engineering, ISSN 2168-0485
Issue year2016
Publication size in sheets0.5
Keywords in EnglishTerpenes; Terpenoids; Ionic liquids; Activity coefficients at infinite dilution; COSMO-RS; Selectivity; Capacity
Languageen angielski
acssuschemeng%2E5b01357 (1).pdf 2.05 MB
Score (nominal)40
ScoreMinisterial score = 40.0, 28-11-2017, ArticleFromJournal
Ministerial score (2013-2016) = 40.0, 28-11-2017, ArticleFromJournal
Publication indicators WoS Impact Factor: 2016 = 5.951 (2) - 2016=6.079 (5)
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