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Keywords:

  • thermodynamics/classical;
  • simulation;
  • process;
  • crystallization (precipitation);
  • aqueous solutions;
  • phase equilibrium

Abstract

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