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Activity Coefficient Prediction for Binary and Ternary Aqueous Electrolyte Solutions at Different Temperatures and Concentrations

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Abstract

The mean spherical approximation (MSA) model, coupled with two hard sphere models, was used to predict the activity coefficients of mixtures of electrolyte solutions at different temperatures and concentrations. The models, namely the Ghotbi-Vera-MSA (GV-MSA) and Mansoori et al.-MSA (BMCSL-MSA), were directly used without introducing any new adjustable parameters for mixing of electrolyte solutions. In the correlation step, the anion diameters were considered to be constant, whereas the cation diameters were considered to be concentration dependent. The adjustable parameters were determined by fitting the models to the experimental mean ionic activity coefficients for single aqueous electrolytes at fixed temperature. The results showed that the studied models predict accurately the activity coefficients for single electrolyte aqueous solutions at different temperatures. In the systems of binary aqueous electrolyte solutions with a common anion, the GV-MSA model has slightly better accuracy in predicting the activity coefficients. Also, it was observed that the GV-MSA model can more accurately predict the activity coefficients for ternary electrolyte solutions with a common anion, especially at higher concentrations.

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Abbreviations

R :

universal gas constant (J⋅K−1⋅mol−1)

m :

molality (mol⋅(kg of solvent)−1)

c :

molarity (mol⋅dm−3)

D :

dielectric constant

T :

absolute temperature (K)

t :

relative temperature (°C)

d :

diameter of ions (m)

k :

Boltzmann constant (J⋅K−1)

I :

ionic strength of solution (mol⋅kg−1)

z :

ionic charge

e :

unit electronic charge (J⋅m)0.5

AARD%:

percent of average absolute relative deviation

Y i :

volume, independent group

γ ± :

mean ionic activity coefficient

Γ:

inverse shielding length (m−1)

ρ :

number density (m−3)

υ :

stoichiometric coefficient

elec:

electrostatic

hs:

hard sphere

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Authors and Affiliations

  1. Department of Chemical and Petroleum Engineering, Sharif University of Technology, Azadi Ave, Tehran, Iran

    Masoud Sadeghi, Cyrus Ghotbi & Mohammad Jafar Abdekhodaie

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  1. Masoud Sadeghi
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  2. Cyrus Ghotbi
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  3. Mohammad Jafar Abdekhodaie
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Correspondence to Cyrus Ghotbi.

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Sadeghi, M., Ghotbi, C. & Abdekhodaie, M.J. Activity Coefficient Prediction for Binary and Ternary Aqueous Electrolyte Solutions at Different Temperatures and Concentrations. J Solution Chem 41, 75–88 (2012). https://doi.org/10.1007/s10953-011-9789-9

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  • DOI: https://doi.org/10.1007/s10953-011-9789-9

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