Journal
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
Volume 437, Issue -, Pages 69-75Publisher
ELSEVIER
DOI: 10.1016/j.colsurfa.2012.11.023
Keywords
Pore size distribution; Heterogeneous surface; GCMC simulations
Categories
Ask authors/readers for more resources
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 N-2 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. (C) 2012 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available