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Adsorption of argon from sub- to supercritical conditions on graphitized thermal carbon black and in graphitic slit pores: A grand canonical Monte Carlo simulation study
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10.1063/1.1996573
/content/aip/journal/jcp/123/8/10.1063/1.1996573
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/8/10.1063/1.1996573

Figures

Image of FIG. 1.
FIG. 1.

Surface excess (top) and bulk gas density (bottom) vs pressure for argon adsorption on graphite at 253 K.

Image of FIG. 2.
FIG. 2.

Surface excess vs bulk gas density for argon adsorption on graphite surface at 253 K.

Image of FIG. 3.
FIG. 3.

2D-density distribution of argon vs distance from the surface at three values of pressure (10, 20, and 100 MPa).

Image of FIG. 4.
FIG. 4.

Snapshots of argon particles in the first layer at 253 K for three values of pressure, (a) 10 MPa, (b) 20 MPa, and (c) 100 MPa.

Image of FIG. 5.
FIG. 5.

Surface excess (top graph) and bulk gas density (bottom graph) vs pressure for argon adsorption on graphite at 150, 158, 166, and 253 K (the vertical dashed line is the vapor pressure at 150 K).

Image of FIG. 6.
FIG. 6.

(Top graph) Plot of the first derivative of the bulk gas density vs pressure. (Bottom graph) Plots of the surface excess vs pressure at 158, 166, and 253 K.

Image of FIG. 7.
FIG. 7.

Surface excess vs bulk density for three values of supercritical temperatures, 158, 166, and 253 K.

Image of FIG. 8.
FIG. 8.

Plot of the excess density (circle symbols), absolute pore density (triangle symbols), and bulk gas density (solid line). (a) Log scale of pressure axis and (b) linear scale of pressure axis.

Image of FIG. 9.
FIG. 9.

Plot of the excess and absolute pore density vs bulk gas density for slit pore of 6.5 A and at 253 K.

Image of FIG. 10.
FIG. 10.

Comparison between subcritical adsorption at 87.3 K and supercritical adsorption at 253 K (solid line with symbols: absolute pore density and solid line: excess pore density).

Image of FIG. 11.
FIG. 11.

Snapshots of argon in 6.5-A slit pore at 253 K (, 10, and 1000 MPa).

Image of FIG. 12.
FIG. 12.

Local-density distribution vs distance for argon adsorption in 9.5-A pore at 253 K.

Image of FIG. 13.
FIG. 13.

Left figure: Plot of absolute pore density (triangle symbols), excess pore density (circle symbols), and bulk gas density (solid) vs pressure. Right figure: Plot of absolute pore density (triangle symbols) and excess pore density (circle symbols) vs bulk gas density.

Image of FIG. 14.
FIG. 14.

(a) Snapshot at 100 MPa and 253 K of the first layer in 9.5-A pore. (b) Snapshot at 1000 MPa and 253 K. (c) Snapshot at 100 kPa and 87.3 K.

Image of FIG. 15.
FIG. 15.

Plot of absolute pore density (solid line), excess pore density (symbols), and bulk gas density (dashed line) vs pressure (left figure: low-pressure range and right figure: high-pressure range).

Image of FIG. 16.
FIG. 16.

Plot of excess pore density (top graph) and absolute pore density (bottom graph) vs bulk gas density for pores 9.5, 12.5, 15.5, and 19 A.

Image of FIG. 17.
FIG. 17.

Local-density distribution vs distance from pore wall for 12.5-, 15.5-, and 19-A pores.

Image of FIG. 18.
FIG. 18.

Plot of excess pore density (circle symbols), absolute pore density (triangle symbols), and bulk gas density (dashed line) vs pressure for 8- and 11.5-A pores (left figure: linear pressure scale and right figure: logarithm pressure scale).

Image of FIG. 19.
FIG. 19.

Plot of absolute and excess pore densities vs bulk gas density for 8- and 11.5-A pores at 253 K.

Image of FIG. 20.
FIG. 20.

Local-density distribution vs distance from pore wall with various values of pressure (left figure: 8-A pore and right figure: 11.5 A pore).

Image of FIG. 21.
FIG. 21.

Plot of absolute and excess pore densities vs bulk gas density for the 9.5-A pore at 158 and 253 K.

Tables

Generic image for table
Table I.

Experimental studies of supercritical fluids.

Generic image for table
Table II.

Summary of the literature review on empirical and semiempirical approaches.

Generic image for table
Table III.

Summary of the literature review on potential, DFT, and molecular simulation approaches.

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/content/aip/journal/jcp/123/8/10.1063/1.1996573
2005-08-29
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Adsorption of argon from sub- to supercritical conditions on graphitized thermal carbon black and in graphitic slit pores: A grand canonical Monte Carlo simulation study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/8/10.1063/1.1996573
10.1063/1.1996573
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