The Crystal-T algorithm: a new approach to calculate the SLE of lipidic mixtures presenting solid solutions

Autor(es)

Maximo, Guilherme J. ^[1] ; Costa, Mariana C. ^[2] ; Meirelles, Antonio J. A. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Estadual Campinas, Sch Food Engn, Lab Extract Appl Thermodynam & Equilibrium, BR-13083862 Campinas, SP - Brazil

^[2] Univ Estadual Campinas, Sch Appl Sci, BR-13484350 Limeira, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Physical Chemistry Chemical Physics; v. 16, n. 31, p. 16740-16754, AUG 21 2014.
• Citações Web of Science: 9

Resumo

Lipidic mixtures present a particular phase change profile highly affected by their unique crystalline structure. However, classical solid liquid equilibrium (SLE) thermodynamic modeling approaches, which assume the solid phase to be a pure component, sometimes fait in the correct description of the phase behavior. In addition, their inability increases with the complexity of the system. To overcome some of these problems, this study describes a new procedure to depict the SLE of fatty binary mixtures presenting solid solutions, namely the ``Crystal-T algorithm{''}. Considering the non-ideality of both liquid and solid phases, this algorithm is aimed at the determination of the temperature in which the first and last crystal of the mixture melts. The evaluation is focused on experimental data measured and reported in this work for systems composed of triacylglycerols and fatty alcohols. The liquidus and solidus tines of the SLE phase diagrams were described by using excess Gibbs energy based equations, and the group contribution UNIFAC model for the calculation of the activity coefficients of both liquid and solid phases. Very low deviations of theoretical and experimental data evidenced the strength of the algorithm, contributing to the enlargement of the scope of the SLE modeling. (AU)

• Processo FAPESP: 12/05027-1 - Equilíbrio sólido-líquido de compostos graxos e ponto de fulgor de biodiesel
• Beneficiário: Mariana Conceição da Costa
• Modalidade de apoio: Auxílio à Pesquisa - Programa BIOEN - Jovens Pesquisadores
• Processo FAPESP: 08/56258-8 - Phase equilibrium and purification processes in the production of biofuels and biocompounds
• Beneficiário: Antonio José de Almeida Meirelles
• Modalidade de apoio: Auxílio à Pesquisa - Programa BIOEN - Temático