Thermodynamics of primitive model electrolytes in the symmetric and modified Poisson-Boltzmann theories. A comparative study with Monte Carlo simulations

Osmotic coefficients, individual and mean activity coefficients of primitive model electrolyte solutions are computed at different molar concentrations using the symmetric Poisson-Boltzmann and modified Poisson-Boltzmann theories. The theoretical results are compared with an extensive series of Mont...

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Hauptverfasser:	A.O. Quiñones, L.B. Bhuiyan, C.W. Outhwaite
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2018-06-01
Schriftenreihe:	Condensed Matter Physics
Schlagworte:	electrolytes primitive model symmetric Poisson-Boltzmann theory modified Poisson-Boltzmann theory Monte Carlo simulations
Online-Zugang:	https://doi.org/10.5488/CMP.21.23802
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