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Performance evaluation of the ASOG method for predicting liquid-liquid equilibria in lipid technology

Grant number: 16/06853-3
Support type:Scholarships in Brazil - Master
Effective date (Start): August 01, 2016
Effective date (End): July 31, 2018
Field of knowledge:Engineering - Chemical Engineering - Chemical Process Industries
Cooperation agreement: Coordination of Improvement of Higher Education Personnel (CAPES)
Principal researcher:Roberta Ceriani
Grantee:Carlos Eduardo Sampaio Dantas
Home Institution: Faculdade de Engenharia Química (FEQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil


Liquid-liquid equilibrium in lipid technology, related to its main products and byproducts, oils/fats for human consumption, biodiesel and glycerol, has been under study in the past two decades. The advent of biodiesel has led to intensified researches dealing with thermodynamics of fatty systems (or lipid systems), in which at least one compound is a fatty compound. In fact, separation or purification processes in oil/fat, biodiesel and glycerol industries involve multicomponent mixtures of fatty acids, esters or alcohols, aldehydes, acylglycerols, glycerol, methanol, ethanol, water, among others. In part of these processes, knowledge of liquid-liquid equilibria is mandatory. Due to inherent complexity of related mixtures, predictive methods based on the group contribution concept, as UNIFAC (UNIQUAC Functional-group Activity Coefficients) and ASOG (Analytical Solution of Groups), are of great practical applicability for process development and improvement. Regarding these features, this project goals to evaluate the capacity of ASOG for predicting liquid-liquid equilibria of (pseudo)ternary and (pseudo)quaternary mixtures (161 mixtures, minimum) involving compounds of interest in lipid technology, namely, biodiesel/fatty esters, glycerol, and oils/fats. Further, efforts will be towards an improvement of this methodology by performing the regression of interaction parameters of existent groups and/or the creation of new groups. Relevance of this kind of predictive tool in engineering projects, when of high accuracy, is evident, considering its generality, as most of the time, an engineer has to rely on applied thermodynamics for estimating the behavior of mixtures for which none information is available at a specified condition (temperature, pressure and/or composition). (AU)

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
DANTAS, CARLOS E. S.; CERIANI, ROBERTA. Prediction of liquid-liquid equilibria of multicomponent fatty systems using the ASOG method. Fluid Phase Equilibria, v. 506, FEB 15 2020. Web of Science Citations: 0.

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