Comment on “Predicting activity coefficients with the Debye–Hückel theory using concentration dependent static permittivity”

Shilov, I. Yu.; Lyashchenko, A. K.

doi:10.1002/aic.17515

Cited by 8 publications

(4 citation statements)

References 6 publications

(14 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Lei et al and Sun et al have shown numerically that the activity coefficient of the SL model equals the one calculated with the Extended Debye–Hückel and Born equations (without the derivatives of relative permittivity with respect to the number of ions in solution). Shilov and Lyashchenko, and Valiskó and Boda, have shown the same result analytically. It is, therefore, not further explained theoretically why it is so and why different models, at different levels of concentration, dependency of relative permittivity, may be equal, despite the implied derivatives with respect to concentration.…”

Section: Introductionsupporting

confidence: 59%

“…Thus, preserving the influence of the derivatives of relative permittivity with respect to the ion mole numbers, which naturally appear during the derivation. We have also highlighted that the SL model, as demonstrated by diverse authors, − did not preserve such derivatives. Their model, therefore, equals a model derived using only the GCP.…”

Section: Discussionmentioning

confidence: 80%

“…Their model achieves very good results for activity coefficients for a series of electrolytes in solution. Other authors, including also Shilov and Lyaschenko 70,72,89,90 have demonstrated that their model equals the DHFULL-0 and Born-0 models (for reference of the models' derivation and equations, we reference our previous work 67 ). These DHFULL-0 and Born-0 models are Debye−Huckel and Born equations where the relative permittivity depends on the concentration.…”

Section: The Ionic Cloud Charging Process�connecting the Debye And Gu...mentioning

confidence: 93%

See 2 more Smart Citations

The Connection between the Debye and Güntelberg Charging Processes and the Importance of Relative Permittivity: The Ionic Cloud Charging Process

Silva

Kontogeorgis

2023

J. Chem. Eng. Data

View full text Add to dashboard Cite

The Debye and Güntelberg Charging Processes are essential tools for deriving electrolyte solutions’ activity coefficient models. The Debye–Hückel, Born, and Mean Spherical Approximation are among some famous theories derived via charging processes. How they relate to each other, or if both charging processes are equivalent, or even if both are consistent, has been a matter of discussion in the literature for many years. In this work, we evaluate the results from both charging processes using the Debye–Hückel and the Born equations, using different dependencies of the relative permittivity concerning salt concentration, temperature, and partial charging variable. Our results show that both charging processes are connected through a charging process here called the Ionic Cloud Charging Process. We show how these three charging processes relate to each other, verifying the magnitude of the derivatives of relative permittivity on the final models and their origin from the Ionic Cloud Charging Process.

show abstract

Section: Introductionsupporting

confidence: 59%

Section: Discussionmentioning

confidence: 80%

Section: The Ionic Cloud Charging Process�connecting the Debye And Gu...mentioning

confidence: 93%

See 1 more Smart Citation

The Connection between the Debye and Güntelberg Charging Processes and the Importance of Relative Permittivity: The Ionic Cloud Charging Process

Silva

Kontogeorgis

2023

J. Chem. Eng. Data

View full text Add to dashboard Cite

show abstract

“…Liang and co-workers , have demonstrated numerically that the original EDH and the DH version of Shilov and Lyashchenko (with variable relative permittivity before the charging process) give identical results for mean ionic activity coefficients, no matter how the ion-size parameters are evaluated. In a follow-up manuscript, Shilov and Lyanschenko show that this equality can be attributed due to an “extended” Debye charging process where the relative permittivity dependence of the charging parameter is considered.…”

Section: Introductionmentioning

confidence: 99%

Investigation of the Limits of the Linearized Poisson–Boltzmann Equation

Silva

Kontogeorgis

2022

J. Phys. Chem. B

View full text Add to dashboard Cite

This work presents a comparison between a numerical solution of the Poisson–Boltzmann equation and the analytical solution of its linearized version through the Debye–Hückel equations considering both size-dissimilar and common ion diameters approaches. In order to verify the limits in which the linearized Poisson–Boltzmann equation is capable to satisfactorily reproduce the nonlinear version of Poisson–Boltzmann, we calculate mean ionic activity coefficients for different types of electrolytes as various temperatures. The divergence between the linearized and full Poisson–Boltzmann equations is higher for lower molalities, and both solutions tend to converge toward higher molalities. For electrolytes of lower valencies (1:1, 1:2, 2:1, and 1:3) and higher distances of closest approach, the full version of the Debye–Hückel equation is capable of representing the activity coefficients with a low divergence from the nonlinear Poisson–Boltzmann. The size-dissimilar full version of Debye–Hückel represents a clear improvement over the extended version that uses only common ion diameters when compared to the numerical solution of the Poisson–Boltzmann equation. We have derived a salt-specific index (Θ) to gradually classify electrolytes in order of increasing influence of nonlinear ion–ion interactions, which differentiate the Debye–Hückel equations from the nonlinear Poisson–Boltzmann equation.

show abstract

The Role of Debye Charging in Predicting Activity Coefficients in Electrolyte Solutions

Shilov

2023

J Solution Chem

View full text Add to dashboard Cite

Comment on “Predicting activity coefficients with the Debye–Hückel theory using concentration dependent static permittivity”

Cited by 8 publications

References 6 publications

The Connection between the Debye and Güntelberg Charging Processes and the Importance of Relative Permittivity: The Ionic Cloud Charging Process

The Connection between the Debye and Güntelberg Charging Processes and the Importance of Relative Permittivity: The Ionic Cloud Charging Process

Investigation of the Limits of the Linearized Poisson–Boltzmann Equation

The Role of Debye Charging in Predicting Activity Coefficients in Electrolyte Solutions

Contact Info

Product

Resources

About