Prediction of density and activity coefficient in electrolytesolutions

In this article, using Peng-Robinson equation of state and Born and MSA terms, fugacitycoefficient, density are predicted for electrolyte systems. In this modeling, a large amount ofexperimental data has been collected for electrolyte systems. In this modeling, salt-basedoptimization is used, and van der Waals attraction parameter, van der Waals excluded volumeparameter, ion diameter parameter, and salt-molecule binary interaction parameter are optimizedby fitting the experimental data of liquid density and average ion average. Average ionic activitycoefficients and density in some electrolyte solutions were predicted with high accuracy .Forexample the Average relative deviation for prediction of average ionic activity coefficients forcalcium chloride in its solution at ۲۹۸.۱۵K and ۵۹۸.۱۵K is obtained ۰.۷۱% , ۱.۱% respectively;and the Average relative deviation for prediction of density for Sodium bromide solution at۳۱۳.۱۵K and ۵۷۳.۱۵K is obtained ۱.۷۵%, ۳.۸۸% respectively

کلیدواژه ها:

Electrolyte solutions ، Activity coefficient ، Density ، Peng-Robinson ، MSA ، Born.