Thermodynamic Study of Molecular Interactions in Eutectic Mixtures Containing Camphene

Marcin Okuniewski , Kamil Paduszyński , Urszula Domańska-Żelazna

Abstract

Terpenes are an abundant and diverse class of chemicals having numerous applications in different areas of chemistry. Therefore, a detailed knowledge of physical and thermodynamic properties of terpenes and their mixtures with other compounds is highly desired. This paper reports both a thermodynamic study on solid–liquid equilibrium (SLE) phase diagrams in binary systems formed by (±)-camphene (a representative terpene) and one of the following solvents: n-decane, n-dodecane, 1-decanol, 1-dodecanol, phenylmethanol, 2-phenylethanol, 2-cyclohexylethanol. The observed trends in the measured SLE data are discussed in terms of structure (alkyl chain length, aromacity) of the solvent and molecular interactions. Modeling of the considered SLE phase diagrams with three well-established thermodynamic models, namely, modified UNIFAC (Dortmund), perturbed-chain statistical associating fluid theory (PC-SAFT) and conductor-like screening model for real solvents (COSMO-RS), is presented. A comparative analysis of their performance is given in terms of average absolute deviations between predicted and experimental SLE temperature.
Author Marcin Okuniewski ZChF
Marcin Okuniewski,,
- Department Of Physical Chemistry
, Kamil Paduszyński ZChF
Kamil Paduszyński,,
- Department Of Physical Chemistry
, Urszula Domańska-Żelazna ZChF
Urszula Domańska-Żelazna,,
- Department Of Physical Chemistry
Journal seriesJournal of Physical Chemistry B, ISSN 1520-6106
Issue year2016
Vol120
No50
Pages12928-12936
Publication size in sheets0.5
DOIDOI:10.1021/acs.jpcb.6b10034
URL http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b10034
projectWpływ czynników strukturalnych na równowagi fazowe układów z terpenami i terpenoidami. . Project leader: Okuniewski Marcin, application date 16-12-2013, start date 01-08-2014, planned end date 31-12-2017, Implemented
WCh Projects financed by NSC [Projekty finansowane przez NCN]
Languageen angielski
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acs%2Ejpcb%2E6b10034.pdf 1.46 MB
Score (nominal)30
ScoreMinisterial score [Punktacja MNiSW] = 30.0, 28-11-2017, ArticleFromJournal
Ministerial score (2013-2016) [Punktacja MNiSW (2013-2016)] = 30.0, 28-11-2017, ArticleFromJournal
Publication indicators WoS Impact Factor [Impact Factor WoS]: 2016 = 3.177 (2) - 2016=3.177 (5)
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