Assessing the reliability of predictive activity coefficient models for molecules consisting of several functional groups

Currently, the most successful predictive models for activity coefficients are those based on functional groups such as UNIFAC. In contrast, these models require a large amount of experimental data for the determination of their parameter matrix. A more recent alternative is the models based on COSM...

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Bibliographic Details
Main Authors: R. P. Gerber, R. P. Soares
Format: Article
Language:English
Published: Brazilian Society of Chemical Engineering 2013-03-01
Series:Brazilian Journal of Chemical Engineering
Subjects:
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322013000100002