TY - JOUR
T1 - Conductivity of Concentrated Electrolytes
AU - Avni, Yael
AU - Adar, Ram M.
AU - Andelman, David
AU - Orland, Henri
N1 - Publisher Copyright:
© 2022 American Physical Society.
PY - 2022/3/4
Y1 - 2022/3/4
N2 - The conductivity of ionic solutions is arguably their most important trait, being widely used in electrochemical, biochemical, and environmental applications. The Debye-Hückel-Onsager theory successfully predicts the conductivity at very low ionic concentrations of up to a few millimolars, but there is no well-established theory applicable at higher concentrations. We study the conductivity of ionic solutions using a stochastic density functional theory, paired with a modified Coulomb interaction that accounts for the hard-core repulsion between the ions. The modified potential suppresses unphysical, short-range electrostatic interactions, which are present in the Debye-Hückel-Onsager theory. Our results for the conductivity show very good agreement with experimental data up to 3 molars, without any fit parameters. We provide a compact expression for the conductivity, accompanied by a simple analytical approximation.
AB - The conductivity of ionic solutions is arguably their most important trait, being widely used in electrochemical, biochemical, and environmental applications. The Debye-Hückel-Onsager theory successfully predicts the conductivity at very low ionic concentrations of up to a few millimolars, but there is no well-established theory applicable at higher concentrations. We study the conductivity of ionic solutions using a stochastic density functional theory, paired with a modified Coulomb interaction that accounts for the hard-core repulsion between the ions. The modified potential suppresses unphysical, short-range electrostatic interactions, which are present in the Debye-Hückel-Onsager theory. Our results for the conductivity show very good agreement with experimental data up to 3 molars, without any fit parameters. We provide a compact expression for the conductivity, accompanied by a simple analytical approximation.
UR - http://www.scopus.com/inward/record.url?scp=85126458083&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.128.098002
DO - 10.1103/PhysRevLett.128.098002
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C2 - 35302829
AN - SCOPUS:85126458083
SN - 0031-9007
VL - 128
JO - Physical Review Letters
JF - Physical Review Letters
IS - 9
M1 - 098002
ER -