Process / pipelineThermodynamic Modeling
UNIFAC
UNIFAC (Universal Functional-group Activity Coefficient) is a predictive model for liquid-phase activity coefficients of multicomponent mixtures. Developed by Fredenslund, Jones, and Prausnitz in 1975, it decomposes molecules into functional groups and uses group interaction parameters to estimate non-ideal behavior. UNIFAC is revolutionary because it can predict phase equilibria for mixtures never experimentally measured, making it invaluable for process design and chemical engineering.
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Sources
- Fredenslund, A., Jones, R. L., & Prausnitz, J. M. (1975). Group-contribution estimation of activity coefficients in nonideal liquid mixtures. AIChE Journal, 21(6), 1086-1099. DOI: 10.1002/aic.690210607 ↗
- Prausnitz, J. M., Lichtenthaler, R. N., & de Azevedo, E. G. (2001). Molecular Thermodynamics of Fluid-Phase Equilibria (3rd ed.). Prentice Hall. ISBN: 978-0-13-977745-6
- Gmehling, J., Li, J., & Schiller, M. (1993). A modified UNIFAC model for the prediction of phase equilibria and excess enthalpies. Industrial & Engineering Chemistry Research, 32(1), 178-193. DOI: 10.1021/ie00013a024 ↗