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Comparison of activity coefficient models for electrolyte systems
Author(s) -
Lin Yi,
Kate Antoon ten,
Mooijer Miranda,
Delgado Javier,
Fosbøl Philip Loldrup,
Thomsen Kaj
Publication year - 2010
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.12040
Subject(s) - uniquac , activity coefficient , electrolyte , non random two liquid model , thermodynamics , solvent , chemistry , aqueous solution , organic chemistry , physics , electrode
Three activity coefficient models for electrolyte solutions were evaluated and compared. The activity coefficient models are: The electrolyte NRTL model (ElecNRTL) by Aspentech, the mixed solvent electrolyte model (MSE) by OLI Systems, and the Extended UNIQUAC model from the Technical University of Denmark (DTU). Test systems containing a single salt (NaCl), multiple salts, and mixed solvent aqueous electrolyte solutions were chosen. The performance of the activity coefficient models were compared regarding the accuracy of solid–liquid and vapor–liquid equilibrium calculations for the test systems. © 2009 American Institute of Chemical Engineers AIChE J, 2010