Artículo
Characterization of the PSD of Activated Carbons by a Heterogeneous Surface Mixed Model
Alexandre de Oliveira, José Carlos
; Soares Maia, Debora Aline
; Toso, Juan Pablo; López, Raúl Horacio
; Azevedo, G.; Zgrablich, Jorge Andres
Fecha de publicación:
11/2013
Editorial:
Elsevier
Revista:
Colloids and Surfaces A: Physicochemical and Engineering Aspects
ISSN:
0927-7757
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
In this study, a model is proposed to calculate the Pore Size Distribution (PSD) of microporous activated carbons taking into account the defects as heterogeneity particles in the inner surface of each graphitic slit pore. We particularly examined the effects of surface heterogeneity in the determination of the PSD for a controlled series of microporous carbons prepared from peach stones as the precursor material. In order to obtain the PSDs of the samples, the Heterogeneous Surface Mixed Model (HSMM) on the basis of Grand Canonical Monte Carlo (GCMC) was used to generate simulated isotherms for the adsorption of N2 at 77 K and CO2 at 273 K. These results are compared with different models, like the Quenched Solid Density Functional Theory (QSDFT) and the Non Local Density Functional Theory (NLDFT) in order to check the self-consistency and robustness of the proposed model. It was found that our model is very flexible, allowing for the possibility of changing both the kind of heterogeneity particle and its coverage on the surface.
Palabras clave:
Pore Size Distribution;
,
Heterogeneous Surface;
,
Gcmc Simulations
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Articulos(CCT - SAN LUIS)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - SAN LUIS
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - SAN LUIS
Articulos(INFAP)
Articulos de INST. DE FISICA APLICADA "DR. JORGE ANDRES ZGRABLICH"
Articulos de INST. DE FISICA APLICADA "DR. JORGE ANDRES ZGRABLICH"
Citación
Alexandre de Oliveira, José Carlos; Soares Maia, Debora Aline; Toso, Juan Pablo; López, Raúl Horacio; Azevedo, G.; et al.; Characterization of the PSD of Activated Carbons by a Heterogeneous Surface Mixed Model; Elsevier; Colloids and Surfaces A: Physicochemical and Engineering Aspects; 437; 11-2013; 69-75
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