Symmetric electrolyte nonrandom two-liquid activity coefficient model

Yuhua Song, Chau Chyun Chen

Research output: Contribution to journalArticle

113 Scopus citations

Abstract

The electrolyte nonrandom two-liquid (eNRTL) model is reformulated as a symmetric activity coefficient model with the reference states chosen to be pure liquids for solvents and pure fused salts for electrolytes. These reference states are consistently used in the local interaction term, represented by a reformulated NRTL expression, and the long-range interaction term, represented by an extended symmetric Pitzer-Debye-Hückel expression. Retaining the local electroneutrality and like-ion repulsion hypotheses, the new symmetric electrolyte NRTL model yields simpler activity coefficient expressions for both molecular and ionic species. The utility of the model is demonstrated with vapor-liquid equilibrium, liquid-liquid equilibrium, and solid-liquid equilibria of several mixed solvent electrolyte systems.

Original languageEnglish
Pages (from-to)7788-7797
Number of pages10
JournalIndustrial and Engineering Chemistry Research
Volume48
Issue number16
DOIs
StatePublished - Aug 19 2009

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