The physical properties density and viscosity of 21 binary mixtures composed of 1-hexanol, 1-heptanol, 1octanol, 1-nonanol, 1-decanol, 1-undecanol, and 1-dodecanol were determined at temperatures from 298.15 to 338.15 K, stepped by 10 K. Well-known methods, based on the physical properties of the pure compounds and their compositions in the mixtures, were used to estimate density (simple form of Kay's rule) and viscosity (logarithmic form of Kay's rule). For density values, the absolute average deviations (AADs) were no higher than 0.06%, when mass fraction was used as the unit of concentration. The viscosity calculations resulted in overall AADs from 1.77% (using molar fraction as the unit of concentration) to 1.85% (using mass fraction as the unit of concentration). Additionally, the predictive capability of the UNIFAC-VISCO and GC-UNIMOD models was tested for viscosity. Satisfactory results were found for all the sets of parameters evaluated in the prediction, with AAD values less than 2%, indicating the appropriate application of these models.
Otimização de parâmetros de interação do modelo UNIFAC-VISCO de misturas de interesse para a indústria de óleos essenciaisOn the other hand, for the second configuration the genetic algorithm method had a better result (DMR 0.68). The UNIFAC-VISCO model predictive ability was evaluated for eucalyptus essential oil system using the obtained parameters, providing DMR equal to 17.191 and 3.711, for the first and second configuration, respectively. The parameters determined by genetic algorithm presented lower DMR for the two settings (3.56 and 1.83 to the first and second configuration, respectively). The major parameters for calculating the DMR are CH-CH 3 and OH-H 2 O to the first and second configuration, respectively. The parameters involving the C group did not influence the DMR and may be excluded from further analysis.
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