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Paper Information

Journal:   IRANIAN JOURNAL OF CHEMICAL ENGINEERING   SUMMER 2013 , Volume 10 , Number 3; Page(s) 14 To 26.
 
Paper: 

A SIMPLIFIED PERTURBATION MODEL FOR PREDICTION OF MEAN IONIC ACTIVITY COEFFICIENT IN AQUEOUS ELECTROLYTE SOLUTION

 
 
Author(s):  SALEHI E., DEHGHANI M.R.*, FAZLALI A.R.
 
* SCHOOL OF CHEMICAL ENGINEERING, IRAN UNIVERSITY OF SCIENCE AND TECHNOLOGY TEHRAN, IRAN
 
Abstract: 

In this work a simplified model based on perturbation theory is presented for prediction of activity coefficient of amino acids and electrolytes in aqueous electrolyte solution. In comparison with previous works, in this model a new hard sphere equation of state has been utilized as a reference term while other interactions such as charge-charge, charge-dipole, dipole-dipole and dipole-induced dipole have been considered as perturbation terms. For simplification, solvent has been considered as dielectric continuum. Finally, aqueous electrolyte solutions containing amino acids have been modeled just using two adjustable parameters. The results have been compared with similar models and it is shown that new hard spheres equation of state shows an improvement in accuracy of the model.

 
Keyword(s): ACTIVITY COEFFICIENT, PERTURBATION MODEL, AMINO ACID, PEPTIDE, HARD SPHERE
 
References: 
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