A Nonextensive Electrolyte UNIQUAC Model for Prediction of Mean Activity Coefficients of Binary Electrolyte Solutions

Document Type: Regular Article

Authors

1 aChemical Engineering Department, Islamic Azad University, Shahrood Branch, Iran

2 Chemical Engineering Department, Amirkabir University of Technology, (Tehran Polytechnic), Tehran, Iran

3 Chemical Engineering Department, Amirkabir University of Technology, Tehran, Iran

4 cRefining Technology Development Division, Research Institute of Petroleum Industry, National Iranian Oil Company, Tehran, Iran

Abstract

In this work, an electrolyte-UNIQUAC model was developed by replacement of Boltzmann weight binary interaction parameters by the nonextensive Tsallis weight. A summation of the long-range electrostatic term (Debye-Huckel equation) and a short-range interaction term were considered in the calculation of thermodynamic properties. A framework proposed by Chen and co-workers was employed for the derivation of the local mole fractions. Application of the nonextensive theory increased the degree of freedom of the present model (T-E-UNIQUAC). Furthermore, the strength of the model lies in its ability to calculate individual activity coefficients of ions. The applicability of the T-E-UNIQUAC model has been tested using aqueous electrolyte solutions and results have been compared with Messnaoui, Chen and Pitzer models.

Graphical Abstract

A Nonextensive Electrolyte UNIQUAC Model for Prediction of Mean Activity Coefficients of Binary Electrolyte Solutions

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Main Subjects