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Paper Information

Journal:   IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE)   WINTER 2012 , Volume 31 , Number 4 (64); Page(s) 69 To 76.
 
Paper: 

A MODIFIED VAN DER WAALS MIXTURE THEORY FOR ASSOCIATING FLUIDS: APPLICATION TO TERNARY AQUEOUS MIXTURES

 
 
Author(s):  AGHAMIRI SEYED FOAD*, MODARRESS HAMID, NICKMAND ZAHRA, TAHERI HAMMED
 
* CHEMICAL ENGINEEING DEPARTMENT, FACULTY OF ENGINEERING, UNIVERSITY OF ISFAHAN, ISFAHAN, I.R. IRAN
 
Abstract: 
In this study a simple and general chemical association theory is introduced.
The concept of infinite equilibrium model is re-examined and true mole fractions of associated species are calculated. The theory is applied to derive the distribution function of associated species. As a severe test the application of presented theory to the van der Waals mixture model is introduced in order to perform Vapor-Liquid Equilibrium (VLE) calculations of aqueous ternary mixtures.
The calculations are shown to be consistently improving the prediction over the non-associating case. Also, well known empirical models of NRTL and UNIQUAC are applied on the studied systems and their results are compared with proposed model.
 
Keyword(s): ASSOCIATION, VAN DER WAALS, VAN LAAR, NRTL, UNIQUAC, VLE
 
References: 
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