Calculation of the solid fat content of vegetable fats using the Hildebrand equation

Abstract

Vegetable fats are complex multi‐component mixtures of triglycerides. Here, the solidification behavior of a few vegetable fats is calculated using the Hildebrand equation. This calculation assumes, in the liquid phase, ideal mixing of the different components, in combination with literature data about the temperatures and enthalpies of fusion of the individual triglycerides. It further assumes a decomposition of the triglyceride blend into binary blends dissolved in an inert solvent. The solid fat content is calculated as function of the temperature, for only all α and only β and only β' crystal modifications. The minor triglyceride components are explicitly included in the calculation. The calculated solid fat contents for cocoa butter, palm oil, inter‐esterified palm oil and palm kernel olein oil are compared to pNMR data, reported in the literature. The standard deviations between calculated and experimental solid fat content lie between 4% and 14%. Temperature ranges are found, in which specific crystal modifications match to the pNMR data for the solid fat content. These temperature ranges are found to be consistent with literature data obtained using x‐ray diffraction. As a by‐product, the calculation presented here, enables the construction of scenarios that describe which triglyceride solidifies in which temperature interval.

Mathematical and computational modeling of fats and triacylglycerides

“…It has to be noted that the Hildebrand equation assumes ideal behavior of the mixed liquid TAGs and no solid phase miscibility. This method was recently extended by Schaink (2023) to multicomponent TAG systems, that is, fats. In this study, the author aimed to predict the SFC profile of a TAG mixture using only T m and ΔH f , that is, with no empirically fit parameters.…”

“…(a) Phase diagram sample built using the Hildebrand equation. (b) Determination of the solidus temperature of a binary triacylglycerides (TAG) system in a 3‐component system, where the mole fraction of TAG C is kept constant at 0.2 (Schaink, 2023). …”

“…This method was recently extended by Schaink (2023) to multicomponent TAG systems, that is, fats. In this study, the author aimed to predict the SFC profile of a TAG mixture using only T m and Δ H f , that is, with no empirically fit parameters.…”

“…The approaches proposed by Schaink (2023) and Marangoni et al. (2023) offer an advantage over the Gibbs free energy minimization approach in that they are much less computationally expensive and have an analytical solution.…”