Polar liquids at charged interfaces: A dipolar shell theory.
J Chem Phys
; 156(24): 244705, 2022 Jun 28.
Article
em En
| MEDLINE
| ID: mdl-35778078
ABSTRACT
The structure of polar liquids and electrolytic solutions, such as water and aqueous electrolytes, at interfaces underlies numerous phenomena in physics, chemistry, biology, and engineering. In this work, we develop a continuum theory that captures the essential features of dielectric screening by polar liquids at charged interfaces, including decaying spatial oscillations in charge and mass, starting from the molecular properties of the solvent. The theory predicts an anisotropic dielectric tensor of interfacial polar liquids previously studied in molecular dynamics simulations. We explore the effect of the interfacial polar liquid properties on the capacitance of the electrode/electrolyte interface and on hydration forces between two plane-parallel polarized surfaces. In the linear response approximation, we obtain simple formulas for the characteristic decay lengths of molecular and ionic profiles at the interface.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Água
/
Eletrólitos
Tipo de estudo:
Prognostic_studies
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2022
Tipo de documento:
Article
País de afiliação:
Estados Unidos