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Monte Carlo simulations of argon adsorption in nanoscopic linear channels

Authorized Users Only
2010
Authors
Da, Re Marco
Grubišić, Sonja
Ancilotto, Francesco
Article (Published version)
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Abstract
We have studied, using grand canonical Monte Carlo simulations, the adsorption of Ar at 85 and 128 K inside nanoscopic open channels of different cross-section shapes on an Al surface. We studied, in particular, the filling phenomenology in linear channels whose cross sections are shaped like a cusp, wedge, parabola, and square well. The influence of the channel geometry on the adsorption behavior is analyzed by computing the adsorption isotherms. Different growth regimes are found as the adsorption proceeds, which are compared with existing model calculations and experimental data. Our simulations show, in particular, the occurrence, in square-well channels, of a nanoscale version of the so-called "Moses transition," in agreement with the predictions of model calculations and with recent experimental results.
Source:
Physical Review B, 2010, 81, 20
Publisher:
  • Amer Physical Soc, College Pk
Funding / projects:
  • Padova University - CPDA077281-07

DOI: 10.1103/PhysRevB.81.205427

ISSN: 1098-0121

WoS: 000278144500103

Scopus: 2-s2.0-77955767394
[ Google Scholar ]
1
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/628
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Da, Re Marco
AU  - Grubišić, Sonja
AU  - Ancilotto, Francesco
PY  - 2010
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/628
AB  - We have studied, using grand canonical Monte Carlo simulations, the adsorption of Ar at 85 and 128 K inside nanoscopic open channels of different cross-section shapes on an Al surface. We studied, in particular, the filling phenomenology in linear channels whose cross sections are shaped like a cusp, wedge, parabola, and square well. The influence of the channel geometry on the adsorption behavior is analyzed by computing the adsorption isotherms. Different growth regimes are found as the adsorption proceeds, which are compared with existing model calculations and experimental data. Our simulations show, in particular, the occurrence, in square-well channels, of a nanoscale version of the so-called "Moses transition," in agreement with the predictions of model calculations and with recent experimental results.
PB  - Amer Physical Soc, College Pk
T2  - Physical Review B
T1  - Monte Carlo simulations of argon adsorption in nanoscopic linear channels
VL  - 81
IS  - 20
DO  - 10.1103/PhysRevB.81.205427
ER  - 
@article{
author = "Da, Re Marco and Grubišić, Sonja and Ancilotto, Francesco",
year = "2010",
abstract = "We have studied, using grand canonical Monte Carlo simulations, the adsorption of Ar at 85 and 128 K inside nanoscopic open channels of different cross-section shapes on an Al surface. We studied, in particular, the filling phenomenology in linear channels whose cross sections are shaped like a cusp, wedge, parabola, and square well. The influence of the channel geometry on the adsorption behavior is analyzed by computing the adsorption isotherms. Different growth regimes are found as the adsorption proceeds, which are compared with existing model calculations and experimental data. Our simulations show, in particular, the occurrence, in square-well channels, of a nanoscale version of the so-called "Moses transition," in agreement with the predictions of model calculations and with recent experimental results.",
publisher = "Amer Physical Soc, College Pk",
journal = "Physical Review B",
title = "Monte Carlo simulations of argon adsorption in nanoscopic linear channels",
volume = "81",
number = "20",
doi = "10.1103/PhysRevB.81.205427"
}
Da, R. M., Grubišić, S.,& Ancilotto, F.. (2010). Monte Carlo simulations of argon adsorption in nanoscopic linear channels. in Physical Review B
Amer Physical Soc, College Pk., 81(20).
https://doi.org/10.1103/PhysRevB.81.205427
Da RM, Grubišić S, Ancilotto F. Monte Carlo simulations of argon adsorption in nanoscopic linear channels. in Physical Review B. 2010;81(20).
doi:10.1103/PhysRevB.81.205427 .
Da, Re Marco, Grubišić, Sonja, Ancilotto, Francesco, "Monte Carlo simulations of argon adsorption in nanoscopic linear channels" in Physical Review B, 81, no. 20 (2010),
https://doi.org/10.1103/PhysRevB.81.205427 . .

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