Prediction of liquid-liquid equilibria of multicomponent fatty systems using the ASOG method

Autor(es)

Dantas, Carlos E. S. ^[1] ; Ceriani, Roberta ^[1]

Afiliação do(s) autor(es)

^[1] Univ Estadual Campinas, Sch Chem Engn, Av Albert Einstein 500, BR-13083852 Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Fluid Phase Equilibria; v. 506, FEB 15 2020.
• Citações Web of Science: 0

Resumo

Purification steps, as solvent extraction, play an important role in biodiesel and edible oil processing. Their continuous improvement relies on predictive tools for computing liquid-liquid equilibria (LLE), and among these tools, group contribution methods, such as the UNIQUAC Functional-group Activity Coefficients (UNIFAC) method and its variants, and the Analytical Solutions of Groups (ASOG) method, are commonly used. In this work the ASOG method was evaluated for predicting LLE of 372 multicomponent fatty systems from the literature. The ASOG method, although quite unexplored, in particular for fatty systems, performed satisfactorily well, resulting in a global deviation of 9.27%. The Solution Structure of Isoactivity Equations (SSIE), a recently published procedure for computing LLE based on the solution of the isoactivities was adopted as the calculation strategy. The predictive capacity of the ASOG method was also improved by means of readjustment of interaction parameters related to functional groups of fatty acid (COOH), ester (COO), aldehydes (COH), water (H2O), and unsaturation (C=C). The new parameters allowed prediction of solubility of fatty acid, alcohol and aldehyde in both fatty and solvent phases more precisely, diminishing deviations between calculated and experimental compositions. (C) 2019 Elsevier B.V. All rights reserved. (AU)

• Processo FAPESP: 16/06853-3 - Avaliação do desempenho do método ASOG na predição do equilíbrio líquido-líquido na tecnologia de lipídeos
• Beneficiário: Carlos Eduardo Sampaio Dantas
• Modalidade de apoio: Bolsas no Brasil - Mestrado
• Processo FAPESP: 14/21252-0 - Equilíbrio e processos de produção de biocombustíveis e bioprodutos
• Beneficiário: Antonio José de Almeida Meirelles
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 16/18253-0 - Equilíbrio de fases nas tecnologias de lipídeos e de biocombustíveis
• Beneficiário: Roberta Ceriani
• Modalidade de apoio: Auxílio à Pesquisa - Programa BIOEN - Regular