An Evaluation of Four Electrolyte Models for the Prediction of Thermodynamic Properties of Aqueous Electrolyte Solutions
نویسندگان
1 1PhD Candidate, Department of Gas Engineering, Petroleum University of Technology, Ahwaz, Iran
2 Professor, Department of Gas Engineering, Petroleum University of Technology, Ahwaz, Iran
3 3Associate Professor, Department of Chemical Engineering, Iran University of Science and Technology, Tehran, Iran
doi
10.22050/ijogst.2017.47434چکیده
In this work, the performance of four electrolyte models for prediction the osmotic and activity coefficients of different aqueous salt solutions at 298 K, atmospheric pressure and in a wide range of concentrations are evaluated. In two of these models, (electrolyte Non-Random Two-Liquid e-NRTL and Mean Spherical Approximation-Non-Random Two-Liquid MSA-NRTL), association between ions of opposite charges for simplification purposes is ignored and in the other two ones, (Associative Mean Spherical Approximation-Non-Random Two-Liquid AMSA-NRTL and Binding Mean Spherical Approximation BiMSA) association and solvation effects are considered. The predictions of these four models for the osmotic and activity coefficients of electrolyte solutions at 298 K and atmospheric pressure are compared with the experimental data reported in the literature. This comparison includes, 28 different aqueous salt solutions including thio-cyanates, perchlorates, nitrates, hydroxides, quaternary ammonium salts and others. The results show, the performance of models that consider association effects are better than others especially for higher salt concentrations. However, the best performance belongs to BiMSA model which has some parameters with physical meaning.
