Two-center potential correlations and its use to determine effective ion-ion interactions and dielectric permittivities in dipolar solvents.
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.
Karlström
Gunnar
G
Theoretical Chemistry, Center for Chemistry and Chemical Engineering, P.O. Box 124, Lund S-22100, Sweden. gunnar.karlstrom@teokem.lu.se
Linse
Per
P
Woodward
Clifford E
CE