Virtual Laboratory for the design of structured lipids from vegetable oils ressources

Abstract

The use of available vegetable oils natural resources for producing improved molecules/mixtures is a promising area in tailor-made lipids. For this, it is necessary a multi-scale modelling of different properties, taking into account the relations between molecular structure and desired properties. This modelling by predictive methods can be coupled with optimization techniques for screening among potential candidates the optimal ones according to the set of end-use properties. The present work shows some aspects of the development of a framework for lipids design using groups-based property prediction models and presents some thermodynamic properties and viscosity of triacylglycerols using Group Contribution Models