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Solid-liquid Equilibrium Modelling and Stability Tests for Triacylglycerols Mixtures

Teles dos Santos, Moises and Carrillo Le Roux, Galo and Gerbaud, Vincent and Joulia, Xavier Solid-liquid Equilibrium Modelling and Stability Tests for Triacylglycerols Mixtures. (2009) In: 10th International Symposium on Process Systems Engineering - PSE2009, 15-20 août 2009, Brésil .

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Official URL: http://dx.doi.org/10.1016/S1570-7946(09)70368-2

Abstract

Computer-Aided Mixture Design for product development can take advantage from equilibrium modelling. Systems composed by triacylglycerols (TAG) mixtures are widely used for many applications (foods, cosmetics, pharmaceutical and lubricants) and their end-use properties are very close related to phase behaviour (melting and crystallization). Such molecules can have different polymorphisms in solid state, leading to a lack of intersolubility and consequently formation of multiple solid phases. This work has implemented the solid-liquid equilibrium for TAG mixtures in a two step approach: stability tests and equilibrium compositions computations for two phase mixtures. The Michelsen’s method for stability analysis was adapted to cope with polymorphisms and was successful for phase-split detection. Melting curves for mixtures composed by 9 TAGs in different compositions and molecular structures were simulated revealing good agreement with physical background for such systems. Further implementations of other initialization independents stability tests and robust optimization techniques show, therefore, a great potential for use as auxiliary computational framework for match improved mixtures in structured lipids research.

Item Type:Conference or Workshop Item (Paper)
Additional Information:this item was published in the journal Computer Aided Chemical Engineering, Volume 27, 2009, Pages 885-890.
Audience (conference):International conference proceedings
Uncontrolled Keywords:
Institution: Université de Toulouse > Institut National Polytechnique de Toulouse - INPT
Other partners > Centro de Engenharía de Sistemas Químicos - CESQ (BRAZIL)
Université de Toulouse > Université Paul Sabatier-Toulouse III - UPS
French research institutions > Centre National de la Recherche Scientifique - CNRS
Laboratory name:
Department of Chemical Engineering (Sao Paulo, Brazil) - Department of Chemical Engineering
Laboratoire de Génie Chimique - LGC (Toulouse, France) - Procédés Systèmes Industriels (PSI) - Analyse fonctionnelle des Procédés
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Deposited By: Vincent GERBAUD

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