1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Lattice-gas model of nonadditive interacting particles on nanotube bundles
Rent:
Rent this article for
USD
10.1063/1.3530788
/content/aip/journal/jcp/134/6/10.1063/1.3530788
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/6/10.1063/1.3530788
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Schematic representation of the system. Black and white circles correspond to occupied and empty sites, respectively. Dashed (dotted) thick lines represent longitudinal (transverse) lateral interactions.

Image of FIG. 2.
FIG. 2.

Adsorption isotherms for P T = 1.0 and P L = 0.7 and several values of temperature.

Image of FIG. 3.
FIG. 3.

(a) Adsorption isotherms for w/k B T = 10.0, P T = 1.0, and several values of P L as indicated. (b) Energy per site, u, vs coverage for the same values of P L and P T . The solid lines are a guide to the eyes. The inset shows the corresponding curves of the differential heat of adsorption, q d .

Image of FIG. 4.
FIG. 4.

Schematic representations of the adlayer for P T = 1 and P L < 1. (a) At coverage θ = 1/3, the ordered phase is formed in each plane and successive planes are formed avoiding longitudinal interactions. (b) At coverage θ = 2/3, the * ordered phase is formed in each plane. The dotted segments indicate the “dimerlike” structure along the channels.

Image of FIG. 5.
FIG. 5.

(a) Adsorption isotherms for w/k B T = 10.0, P L = 1.0, and several values of P T as indicated. Inset (i) shows the dependence of on P T . In inset (ii), the adsorption isotherm at the lowest temperature considered here, w/k B T = 20.0, is shown. It is possible to identify the different plateaus at θ = 1/3, 2/5, 2/3, 3/4, and 6/7. (b) Energy per site vs coverage. The curves correspond to the same cases showed in part (a) (the solid lines are a guide to the eyes). The inset shows the differential heat of adsorption, q d .

Image of FIG. 6.
FIG. 6.

Typical snapshots of a transverse plane showing the various low temperature ordered structures for P T = 1 and P L = 0.2. (a) θ = 1/3, (b) θ = 2/5, (c) θ = 1/2, (d) θ = 2/3, (e) θ = 3/4, and (f) θ = 6/7. The longitudinal order (if any) is explained in the text.

Image of FIG. 7.
FIG. 7.

(a) Adsorption isotherms for w/k B T = 10.0, P L = 0.4, and several values of P T as indicated. In the inset, the case of w/k B T = 10.0, P T = 0.2, and different values of P L as indicated is shown. (b) Energy per site, u, vs coverage for the same values of nonadditivity as in part (a). The solid lines are a guide to the eyes. The inset shows the differential heat of adsorption, q d .

Image of FIG. 8.
FIG. 8.

Comparison between the results from MC (symbols) and BWA (lines). Adsorption isotherms at w/k B T = 10.0 for (a) Case I and (b) Case II.

Image of FIG. 9.
FIG. 9.

Absolute error (in k B T units), E R , vs surface coverage for the adsorption isotherms at w/k B T = 10.0 corresponding to (a) Case I and (b) Case II. The insets show the integral errors, E I , vs the corresponding nonadditive parameter.

Loading

Article metrics loading...

/content/aip/journal/jcp/134/6/10.1063/1.3530788
2011-02-08
2014-04-19
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Lattice-gas model of nonadditive interacting particles on nanotube bundles
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/6/10.1063/1.3530788
10.1063/1.3530788
SEARCH_EXPAND_ITEM