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Computer-Aided Lipid Design: phase equilibrium modeling for product design

Teles dos Santos, Moises and Carrillo Le Roux, Galo and Gerbaud, Vincent Computer-Aided Lipid Design: phase equilibrium modeling for product design. (2010) In: ESCAPE 20, 20th European Symposium on Computer-Aided Process Engineering (ESCAPE 19), 06-10 June 2010, 6 June 0006 - 10 June 0010, Ischia, Italy (Ischia, Italy).

(Document in English)

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Official URL: http://dx.doi.org/10.1016/S1570-7946(10)28046-X


The aim of this work is use phase equilibrium modeling as an auxiliary tool for product design, especially for those whose desired final properties are directly related to solid fat content (SFC) and melting behaviour. Solid-liquid equilibrium (SLE) modeling has been implemented for triacylglycerols mixtures, the main components of vegetable oils, a renewable raw-material for a wide variety of products. Excess Gibbs energy models were used to model solid-phases while direct optimization of Gibbs free energy using Generalized Reduced Gradient was performed aiming to compute the number of molecules in each phases at the whole range of melting. As results, a computed phase diagram was compared with experimental data from literature as well as a DSC curve. The model was also used to simulate a four-component DSC curve as a predictive tool.

Item Type:Conference or Workshop Item (Paper)
Additional Information:The proceedings are copyrighted by Elsevier as they are published in Computer Aided Chemical Engineering The URL of the paper is : http://dx.doi.org/10.1016/S1570-7946(10)28046-X
HAL Id:hal-04027854
Audience (conference):International conference proceedings
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Other partners > Universidade de São Paulo - USP (BRAZIL)
Laboratory name:
Laboratorio de Simulacao e Controle de Processos
Laboratoire de Génie Chimique - LGC (Toulouse, France) - Procédés Systèmes Industriels (PSI) - Analyse fonctionnelle des Procédés
Deposited On:16 Nov 2010 13:34

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