Journal article
Comparison of activity coefficient models for electrolyte systems
Haldor Topsoe AS1
Akzo Nobel Functional Chemicals AB2
Shell Global Solutions (Malaysia) Sdn Bhd3
SQM Salar S.A.4
CERE – Center for Energy Ressources Engineering, Department of Chemical and Biochemical Engineering, Technical University of Denmark5
Department of Chemical and Biochemical Engineering, Technical University of Denmark6
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.
| Language: | English |
|---|---|
| Publisher: | Wiley Subscription Services, Inc., A Wiley Company |
| Year: | 2010 |
| Pages: | 1334-1351 |
| ISSN: | 15475905 and 00011541 |
| Types: | Journal article |
| DOI: | 10.1002/aic.12040 |
| ORCIDs: | Fosbøl, Philip Loldrup and Thomsen, Kaj |
