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An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
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10.1063/1.4729249
/content/aip/journal/jcp/136/22/10.1063/1.4729249
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/22/10.1063/1.4729249

Figures

Image of FIG. 1.
FIG. 1.

Pressure on the wall against the radius of the pore obtained for values of the activity z, and bulk density ρ b listed in Table I (z and ρ b increase from bottom to top). The dashed line indicates the radius R = 0.612 for which a maximum of three particles can be fitted in the cavity.

Image of FIG. 2.
FIG. 2.

Relative adsorption in the pore as a function of the bulk density plotted for different radii of the pore R = 0.2, 0.4, 0.5, 0.525, 0.55, 0.575, 0.6, 0.61237, 0.65, 0.7, 0.8, 1, 1.2, and 1.5. The arrow marks the direction of increasing values of R. The asterisk indicates the curve for R = 0.61237.

Image of FIG. 3.
FIG. 3.

Mean number of particles vs. bulk density for different radii of the pore. The arrow, the asterisk and the values of R were described in Fig. 2.

Image of FIG. 4.
FIG. 4.

Standard deviation in N as a function of N for different radii of the pore. The arrow, the asterisk and the values of R were described in Fig. 2.

Image of FIG. 5.
FIG. 5.

Fluid-substrate surface tension vs. pressure. The filled circles and squares correspond to simulation and thermodynamic integration data from Ref. 21,22, respectively. The dashed line shows SPT values.20 The parametric plot of the power series βP b ) and βγ b ) is shown by the continuous line.

Image of FIG. 6.
FIG. 6.

Tolman length vs. density. The continuous curve with the open circle corresponds to the linear dependence in ρ b from this work. The six SPT versions from Refs. 20 and 23 are shown by non-continuous curves: SPT3 (dotted line), SPT6 (short dashed line), CS-SPT (dashed line), SPT6M (short dashed-dot line), CS-SPT M (dashed-dot line), and ESPT (dashed-dot-dot line that lies above all other lines). The graphic includes at the top left corner a close up of the curves around ρ b = 0.

Tables

Generic image for table
Table I.

Activity values z, used for the curves plotted in Fig. 1 and the corresponding bulk density values, ρ b .

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/content/aip/journal/jcp/136/22/10.1063/1.4729249
2012-06-14
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: An exact formalism to study the thermodynamic properties of hard-sphere systems under spherical confinement
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/22/10.1063/1.4729249
10.1063/1.4729249
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