Boiling points of
monocaprylin, monocaprin, dicaprylin, and dicaprin
were measured at low pressures (1.0 kPa up to 13.2 kPa) using a differential
scanning calorimetry technique and correlated by empirical equations
(Clapeyron and Antoine). Parameters of the Design Institute for Physical
Property Research (DIPPR) equations were also regressed considering
calculated values of normal boiling points and critical points using
the Marrero and Gani method. Heats of vaporization were estimated
using the Clausius–Clapeyron relation with the inclusion of
a correction term to account for deviations at higher pressures. Boiling
points of α-, β-, δ-, and γ-tocopherol were
measured at 1.1 kPa. A DIPPR equation was also proposed for estimating
the vapor pressure of this class of compounds, and an equation for
predicting heat of vaporization was derived. Data presented in this
work can be valuable for process design in the edible oil industry
and for development of biodiesel purification steps.
Predictive methodologies based on group contribution methods, such as UNIFAC, play a very important role in the design, analysis and optimization of separation processes found in oils, fats and biodiesel industries. However, the UNIFAC model has well-known limitations for complex molecular structures that the first-order functional groups are unable to handle. In the particular case of fatty systems these models are not able to adequately predict the non-ideality in the liquid phase. Consequently, a new set of functional groups is proposed to represent the lipid compounds, requiring thereby, new group interaction parameters. In this work, the performance of several UNIFAC variants, the Original-UNIFAC, the Linear-UNIFAC, Modified-UNIFAC and the Dortmund-UNIFAC is compared. The same set of experimental data and the parameter estimation method developed by Perederic et al. (2017) have been used.
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