Condensed Matter > Soft Condensed Matter
[Submitted on 24 Mar 2025 (v1), last revised 29 Mar 2025 (this version, v2)]
Title:Effect of variable relative permittivity on the thermodynamics of asymmetric valency aqueous salts
View PDF HTML (experimental)Abstract:Experimentally determined empirical formulae for the concentration dependent relative permittivity of aqueous solutions of MgCl$_{2}$ and NiCl$_{2}$ are utilized to calculate the osmotic coefficient and the mean activity coefficient of these salts for a range of concentrations. The systems are modelled using the primitive model of electrolytes and analyzed using the symmetric Poisson-Boltzmann theory, the modified Poisson-Boltzmann theory, the mean spherical approximation, and the Monte Carlo simulations. Generally, the mean spherical approximation and the modified Poisson-Boltzmann theory reproduce the benchmark simulation data well up to $\sim $1.6 mol/dm$^{3}$ or more in many instances, while the symmetric Poisson-Boltzmann results show discrepancies starting from $\sim $0.25 mol/dm$^{3}$. Both the simulations and the theories tend to deviate from the corresponding experimental results beyond $\sim $1 mol/kg.
Submission history
From: Lutful Bari Bhuiyan [view email] [via Olena Dmytriieva as proxy][v1] Mon, 24 Mar 2025 18:17:55 UTC (433 KB)
[v2] Sat, 29 Mar 2025 18:12:54 UTC (433 KB)
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