Comparison of activity coefficient models for electrolyte systems

Publication: Research - peer-reviewJournal article – Annual report year: 2010

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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 Inc., 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.
Original languageEnglish
JournalA I Ch E Journal
Publication date2010
Volume56
Issue5
Pages1334-1351
ISSN0001-1541
DOIs
StatePublished
CitationsWeb of Science® Times Cited: 7

Keywords

  • process, thermodynamics/classical, crystallization, simulation
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