A Modification of UNIQUAC Model for Electrolyte Solutions Based on the Local Composition Concept

2020 ◽  
Vol 49 (12) ◽  
pp. 1485-1496
Author(s):  
Hamid Bakhshi ◽  
Poorya Mobalegholeslam
1986 ◽  
Vol 26 (1) ◽  
pp. 1-13 ◽  
Author(s):  
R.G. Rubio ◽  
M.G. Prolongo ◽  
U. Cabrerizo ◽  
M. Díaz Peña ◽  
J.A.R. Renuncio

AIChE Journal ◽  
1990 ◽  
Vol 36 (3) ◽  
pp. 370-386 ◽  
Author(s):  
M. S. Ananth ◽  
Sunder Ramachandran

2008 ◽  
Vol 86 (12) ◽  
pp. 1126-1137 ◽  
Author(s):  
Rahmat Sadeghi

The extended NRTL and Wilson local composition models for amino acid solutions have been modified for the representation of the phase equilibrium behavior of aqueous amino acid – electrolyte solutions by considering cells with random composition for the reference Gibbs energies or enthalpies of local composition cells with a central amino acid molecule and also with a central ion. These new local composition models, which have a molecular thermodynamic framework, have been used to model the vapor–liquid and solid–liquid equilibrium behavior of amino acids and small peptides in aqueous solutions as functions of temperature, ionic strength, and amino acid compositions. The utility of the models is demonstrated with a successful representation of the activity coefficients and the solubility of several amino acids in different aqueous solutions.Key words: amino acid, NRTL, Wilson, activity coefficient, solubility, aqueous solution.


2005 ◽  
Vol 77 (3) ◽  
pp. 531-542 ◽  
Author(s):  
Kaj Thomsen

The extended universal quasichemical (UNIQUAC) model is a thermodynamic model for solutions containing electrolytes and nonelectrolytes. The model is a Gibbs excess function consisting of a Debye–Hückel term and a standard UNIQUAC term. The model only requires binary ion-specific interaction parameters. A unique choice of standard states makes the model able to reproduce solid–liquid, vapor–liquid, and liquid–liquid phase equilibria as well as thermal properties of electrolyte solutions using one set of parameters.


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