Estimation of activity coefficients at different temperatures by using the mean spherical approximation

López-Pérez, G.; González-Arjona, D.; Molero, M.

doi:10.1016/s0022-0728(99)00438-6

Cited by 17 publications

(19 citation statements)

References 51 publications

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“…The dielectric constant was either fixed 22,24 or adjusted (concentration dependent) 23,26 . A concentration-and temperature-dependent dielectric constant was used by López-Pérez et al 31 , but (c, T ) was an adjustable parameter in their MSA study.…”

Section: Discussionmentioning

confidence: 99%

“…Furthermore, the concept of a concentration-dependent ionic diameter was also used in some of these studies 24,26 . López-Pérez et al 31 went further; they studied temperature and concentration dependence using MSA and assumed concentration-and temperaturedependent cation radius. We prefer if the thermodynamic state (concentration) enters the calculation through macroscopic parameters ( ) rather than through microscopic parameters.…”

Section: Discussionmentioning

confidence: 99%

“…The most famous of such theories (due to its relative simplicity and accuracy) is the Mean Spherical Approximation (MSA) 21 . The nonmonotonic behavior of the µ EX ± (c) function has been studied in several papers using this theory [22][23][24][25][26][27][28][29][30][31] . Computer simulations [32][33][34][35][36] and other theories 25,[37][38][39][40] have also been used.…”

Section: Introductionmentioning

confidence: 99%

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The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

Valiskó¹,

Boda²

2014

The Journal of Chemical Physics

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Our implicit-solvent model for the estimation of the excess chemical potential (or, equivalently, the activity coefficient) of electrolytes is based on using a dielectric constant that depends on the thermodynamic state, namely, the temperature and concentration of the electrolyte, ε(c, T). As a consequence, the excess chemical potential is split into two terms corresponding to ion-ion (II) and ion-water (IW) interactions. The II term is obtained from computer simulation using the Primitive Model of electrolytes, while the IW term is estimated from the Born treatment. In our previous work [J. Vincze, M. Valiskó, and D. Boda, "The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations," J. Chem. Phys. 133, 154507 (2010)], we showed that the nonmonotonic concentration dependence of the activity coefficient can be reproduced qualitatively with this II+IW model without using any adjustable parameter. The Pauling radii were used in the calculation of the II term, while experimental solvation free energies were used in the calculation of the IW term. In this work, we analyze the effect of the parameters (dielectric constant, ionic radii, solvation free energy) on the concentration and temperature dependence of the mean activity coefficient of NaCl. We conclude that the II+IW model can explain the experimental behavior using a concentration-dependent dielectric constant and that we do not need the artificial concept of "solvated ionic radius" assumed by earlier studies.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

Valiskó¹,

Boda²

2014

The Journal of Chemical Physics

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“…Ion works, [19][20][21] ignored the IW term. Inchekel et al, 13 on the other hand, used the Born radii (they used a complex equation of state to estimate the II term).…”

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confidence: 99%

Comment on “The Role of Concentration Dependent Static Permittivity of Electrolyte Solutions in the Debye–Hückel Theory”

Valiskó

Boda

2015

J. Phys. Chem. B

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“…In this case, the mean spherical approximation method is usually used to calculate the composition of the double-saturation equilibrium mother liquor in the quaternary system (NaCl-KCl-MgCl 2 -H 2 O) under the desired temperature and water amount conditions (Lu et al, 1993;López-Pérez et al, 2000;Yu et al, 2003;Ge and Wang, 2009;Memarnejad and Dehghani, 2012).…”

Section: Resultsmentioning

confidence: 99%

Model for the decomposition of carnallite in aqueous solution

Cheng

Hai

et al. 2015

International Journal of Mineral Processing

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Estimation of activity coefficients at different temperatures by using the mean spherical approximation

Cited by 17 publications

References 51 publications

The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

Comment on “The Role of Concentration Dependent Static Permittivity of Electrolyte Solutions in the Debye–Hückel Theory”

Model for the decomposition of carnallite in aqueous solution

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