期刊
JOURNAL OF CHEMICAL PHYSICS
卷 130, 期 19, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3139301
关键词
adsorption; monolayers; Monte Carlo methods; multilayers; nanotubes
资金
- CONICET [PIP 6294]
- Universidad Nacional de San Luis (Argentina) [322000]
- Universidad Tecnologica Nacional, Facultad Regional San Rafael (Argentina) [PID PQCO SR 563]
- National Agency of Scientific and Technological Promotion (Argentina) [33328 PICT 2005]
In this work we study a simple model of multilayer adsorption of noninteracting polyatomic species on homogeneous and heterogeneous surfaces. A new approximate analytic isotherm is obtained and validated by comparing with Monte Carlo simulation in one- and two-dimensional lattices. Then, we use the well-known Brunauer-Emmet-Teller (BET) approach to analyze these isotherms and to estimate the monolayer volume, v(m). In this way, we confirm previous observations that the value of the v(m) obtained by the BET equation depends strongly on adsorbate size and surface heterogeneity. In all cases, we find that the use of the BET equation leads to an underestimate of the true monolayer capacity. Nevertheless, a compensation effect is found for the adsorption on a patchwise bivariate surface, but this is not enough to eliminate the decrease of v(m) caused by the molecular size. In addition, we consider also the possibility to use the model to study the adsorption on nanotube bundles.
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