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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Liang, Xiaodong
Technical University of Denmark
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (9/9 displayed)
- 2024Investigation of the Alcohols and Water Hydrogen Bonding Structure via Monomer Fraction Studiescitations
- 2024The Connection between the Debye and Güntelberg Charging Processes and the Importance of Relative Permittivity: The Ionic Cloud Charging Processcitations
- 2023On the estimation of equivalent conductivity of electrolyte solutions; The effect of relative static permittivity and viscositycitations
- 2023Comparisons of equation of state models for electrolytes: e-CPA and e-PPC-SAFTcitations
- 2023Comparisons of equation of state models for electrolytes: e-CPA and e-PPC-SAFTcitations
- 2023Comparison of models for the relative static permittivity with the e-CPA equation of statecitations
- 2023How to account for the concentration dependency of relative permittivity in the Debye–Hückel and Born equationscitations
- 2022Importance of the Relative Static Permittivity in electrolyte SAFT-VR Mie Equations of Statecitations
- 2022The true Hückel equation for electrolyte solutions and its relation with the Born termcitations
Places of action
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article
Importance of the Relative Static Permittivity in electrolyte SAFT-VR Mie Equations of State
Abstract
The influence and importance of the relative static permittivity (RSP) in electrolyte equations of state is examined for the case of aqueous sodium chloride. Using the SAFT-VR Mie model, the Debye-Hückel (DH) or Mean-Spherical Approximation (MSA) terms, as well as the Born-solvation term, are used to formulate an electrolyte equation of state. The RSP is obtained from a variety of models, each differing in their dependencies; we consider constant, temperature-, density- and composition-dependent models. For a fair comparison between different combinations of electrostatic and RSP models, all ion-related parameters are obtained a priori. A novel combining rule is proposed to obtain the unlike parameters between solvents and ions; its reliability is examined for a variety of electrolyte systems. We also compare its performance relative to parameterised electrolyte models. Both the DH and MSA terms yield similar results for almost all properties and conditions. The RSP models used have the more-significant impact. Liquid densities and solvent saturation pressures showed limited changes between RSP models whereas osmotic coefficients, mean ionic activity coefficients and carbon dioxide solubilities observed drastically different behaviour. Analysing the contributions of the various terms to the activities of each species in an electrolyte mixture reveals an important balance between the Born-solvation and the DH or MSA terms where the RSP models have a significant influence over this balance, particularly when these carry a solvent- or ion-composition dependence.