Thermodynamic Study of Molecular Interactions in Eutectic Mixtures Containing Camphene
Marcin Okuniewski , Kamil Paduszyński , Urszula Domańska-Żelazna
AbstractTerpenes 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.
|Journal series||Journal of Physical Chemistry B, ISSN 1520-6106|
|Publication size in sheets||0.5|
|project||Wpływ 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
|Score|| = 30.0, 28-11-2017, ArticleFromJournal|
= 30.0, 28-11-2017, ArticleFromJournal
|Publication indicators||: 2016 = 3.177 (2) - 2016=3.177 (5)|
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