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Density profiles and solvation forces for a Yukawa fluid in a slit pore
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10.1063/1.2921134
/content/aip/journal/jcp/128/20/10.1063/1.2921134
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/20/10.1063/1.2921134

Figures

Image of FIG. 1.
FIG. 1.

[(a)–(c)] Density profiles of the centers of the particles as a function of the distance from the surface of a single wall. Results are from simulations and and are varied. The values of can be found in Table I.

Image of FIG. 2.
FIG. 2.

Density profiles near a single plate for the parameters from Table I. Simulations are compared to HNC integral equation and two versions of DFT. DFT- represents the perturbation in and DFT- a perturbation in .

Image of FIG. 3.
FIG. 3.

Effective solvation force per unit area between two plates in the range , for the parameters from Table I. Simulations are compared to HNC integral equation and two versions of DFT. DFT- represents the perturbation in and DFT- a perturbation in . (Note that the scales are not the same in each graph, but rather are adjusted to enhance comparison between simulation and the theoretical techniques.)

Image of FIG. 4.
FIG. 4.

Solvation force per unit area (or equivalently the solvation pressure) between two plates in the range , for pure HS systems: A comparison between FMT-DFT (Ref. 41), which is expected to be virtually indistinguishable from simulations in this regime (Ref. 42), and HNC, which shows deviations for increasing packing fractions.

Image of FIG. 5.
FIG. 5.

GCMC simulations of density profiles for two different wall-particle attractions. With increasing particle-particle attraction, the secondary maximum is enhanced when the wall-particle attraction is stronger.

Image of FIG. 6.
FIG. 6.

GCMC simulations of effective solvation forces per unit area for two different wall-particle attractions. With increasing particle-particle attraction, the secondary maximum is enhanced when wall-particle attraction is stronger, an effect called repulsion through attraction.

Image of FIG. 7.
FIG. 7.

Reduced adsorption for (a) attractive particle-particle interactions and (b) repulsive particle-particle interactions.

Image of FIG. 8.
FIG. 8.

The effective potential is calculated in the HNC approximation and plotted for various intensities of wall-particle attraction. The bulk system is that of run 2 . The walls repel when the attraction is weak but start to attract each other with increasing wall-particle attraction, due to the phenomenon of bridging.

Image of FIG. 9.
FIG. 9.

The effective potential, divided by the density, for the ideal fluid at various intensities of wall-particle attraction . For stronger wall-particle attractions, the phenomenon of bridging is observed.

Image of FIG. 10.
FIG. 10.

The quantity is plotted for the ideal fluid at various intensities of the wall-particle triangle-form interaction. The walls repel when the attraction is weak but start to attract for higher attraction, denoting the phenomenon of bridging.

Tables

Generic image for table
Table I.

Parameter combination.

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/content/aip/journal/jcp/128/20/10.1063/1.2921134
2008-05-27
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Density profiles and solvation forces for a Yukawa fluid in a slit pore
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/20/10.1063/1.2921134
10.1063/1.2921134
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