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Dielectric permittivity profiles of confined polar fluids
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10.1063/1.1845431
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1 Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, United Kingdom
J. Chem. Phys. 122, 114711 (2005)
/content/aip/journal/jcp/122/11/10.1063/1.1845431
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/11/10.1063/1.1845431
View: Figures

## Figures

FIG. 1.

Density and orientational profile of a DSS fluid in a slab (, ) for two values of the reduced dipole moment.

FIG. 2.

Parallel component of the permittivity tensor (same system as in Fig. 1), from fluctuation formula (13) and from the response to an external field along axis.

FIG. 3.

Dipolar fluctuations (thin line) and smoothed curve (thick line) [see text]. Inset: orthogonal component of the permittivity tensor (, , ).

FIG. 4.

Continuous line: polarization charge density induced inside a slab of polar fluid (, , ) by an external electric field along the direction. Dashed line: ten times the integral .

FIG. 5.

Electric field (thick line) and polarization density computed using Eq. (30) (thin line) and from the statistical average (dotted line), for the same system as in Fig. 4. Inset: from Eq. (31) and from fluctuation formula (17) (dashed line).

FIG. 6.

EDL ratio from Eq. (29) (continuous line) and from the fluctuation formula (32) (dashed line) [same system as in Fig. 3].

FIG. 7.

Density, orientation, and permittivity profiles of 2076 SPC water molecules confined in a slab of width 4.65 nm by hydrophobic walls (, ).

FIG. 8.

Geometry for the Berendsen formula: a droplet of radius is surrounded by a continuous medium of dielectric constant . Dipolar fluctuations in the fluid are measured inside a concentric subsphere of radius , while the remaining fluid in the outer shell is assumed to behave as a dielectric continuum of permittivity .

FIG. 9.

Density profile [thick curve: ten times ] and estimate of the bulk dielectric constant of a droplet of a polar fluid from Eq. (18) with the total dipole moment of a concentric subsphere of radius (thin curve), and from the Berendsen formula (33) (dashed line). The expected bulk value is indicated by the dotted line.

FIG. 10.

Radial electric field, polarization density, molecular density, and permittivity profiles for a spherical droplet of polar fluid (, , ) when an ion of unit electronic charge (reduced charge ) is present at the origin. The dotted line indicates the bulk dielectric constant (divided by 10).

/content/aip/journal/jcp/122/11/10.1063/1.1845431
2005-03-22
2014-04-23

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