Estimating solubility of organic salts with enrtl-sac model

Chau Chyun Chen, Yuhua Song

Research output: Contribution to conferencePaper

Abstract

The NonRandom Two-Liquid segment activity coefficient model of Chen and Song (2004) has shown to be a simple and practical tool for chemists and engineers to estimate solubilities of organic nonelectrolytes in support of chemical and pharmaceutical process design. In this paper, the model is extended to facilitate computation of ionic activity coefficients and solubilities of electrolytes, organic and inorganic, in common solvents and solvent mixtures. In addition to the three molecular parameters defined for organic nonelectrolytes, i.e., hydrophobicity X, polarity Y, and hydrophilicity Z, an additional molecular parameter, e, is introduced to characterize both local and long-range ion-ion and ion-molecule interactions attributed to charged segments of electrolytes. Successful representations on mean ionic activity coefficients and solubilities of electrolytes, inorganic and organic, in aqueous and nonaqueous solvents are presented.

Original languageEnglish
Pages9111
Number of pages1
StatePublished - 2005
Event05AIChE: 2005 AIChE Annual Meeting and Fall Showcase - Cincinnati, OH, United States
Duration: Oct 30 2005Nov 4 2005

Conference

Conference05AIChE: 2005 AIChE Annual Meeting and Fall Showcase
CountryUnited States
CityCincinnati, OH
Period10/30/0511/4/05

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    Chen, C. C., & Song, Y. (2005). Estimating solubility of organic salts with enrtl-sac model. 9111. Paper presented at 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Cincinnati, OH, United States.