Triglyceride Property Calculator

A melting property generator for pure triacylglycerides. To contribute experimental data, please contact one of the contributors.

© 2017-2023 Marangoni Research Lab at the University of Guelph.


Contributors:

Arun S. Moorthy (University of Guelph)
Gianfranco Mazzantti (Dalhousie University)
Alejandro G. Marangoni (University of Guelph)
Sebastian Mollejas (University of Guelph)

References:

Wesdorp Method:
Moorthy, A.S. et al. Estimating thermodynamic properties of pure tryglyceride systems using the Triglyceride Property Calculator. (2017). Journal of the American Oil Chemists' Society, 94(2), 187-199. ... and references therein [MATHEMATICS SUMMARY]

Wesdorp Method Revisted (new parameters):
Seilert J, Moorthy AS, Kearsley AJ, Floter E. Revisiting a model to predict pure triglyceride thermodynamic properties: parameter optimization and performance. J Am Oil Chem Soc. 2021;98: 837-850. [https://doi.org/10.1002/aocs.12515]

About Group Contribution (GC) Method:
Zeberg-Mikkelsen. et al. Predicting the melting points and enthalpies of fusion of saturated triglycerides by a group contribution method. (1999). Fluid Phase Equilibria, 162(1), 7-17.

Download summarized of parameters and equations. [HERE]

DISCLAIMER:
The Triglyceride Property Calculator (TPC) and underlying experimental data collection is a continual project. The authors of the TPC cannot guarantee the accuracy of results generated using the TPC, and cannot validate claims of others based on results generated using the TPC. We encourage users to communicate known issues with the calculator and validate their findings with additional simulation and experiments.












Summary of triglyceride physical and melting properties

Reference ID:
Molecular Formula:
Molecular Mass[g/mol]:
Enthalpy[kJ/mol]:
Temperature[deg.C]:

Original parmeters

Wesdorp-Moorthy [a] Wesdorp-Moorthy [b] GC Method
Predicted Enthalpy [kJ/mol]
Predicted Temperature [deg. Celsius]

Prediction [a] generated using combined temperature and enthalpy data. Prediction [b] generated using only temperature data. Both model fits described in linked summary document.