Two-center potential correlations and its use to determine effective ion-ion interactions and dielectric permittivities in dipolar solvents

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Abstract

General expressions for two-center electrostatic potential correlations and its use to determine (i) the effective interaction between simple ions in a dipolar solvent and (ii) the dielectric permittivity of the solvent are proposed. Such two-center potential correlations were determined from Monte Carlo simulations of spherically confined dipolar particles embedded in a dielectric medium described by using an image charge approximation. The deduced dielectric permittivities increased with increasing dipolar moment, and at large dipole moments the effective interaction displayed an attractive first minimum. (C) 2010 American Institute of Physics.

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  • Teoretisk kemi
  • Fysikalisk kemi
Originalspråkengelska
Artikelnummer084508
TidskriftJournal of Chemical Physics
Volym132
Utgivningsnummer8
StatusPublished - 2010
PublikationskategoriForskning
Peer review utfördJa