INVESTIGADORES
ALBESA Alberto Gustavo
artículos
Título:
Adsorption of CO2/CH4 Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations
Autor/es:
ALBESA, ALBERTO G;; RAFTI, MATÍAS; VICENTE, JOSÉ L.; SANCHEZ, HERNÁN; HUMPOLA, PABLO
Revista:
ADSORPTION SCIENCE & TECHNOLOGY
Editorial:
MULTI SCIENCE PUBL CO LTD
Referencias:
Lugar: Brentwood, UK; Año: 2012 p. 669 - 689
ISSN:
0263-6174
Resumen:
In this article, a nanoporous carbon model based on units of
polyaromatic molecules with different number of rings is described. The
adsorption isotherms of pure CO2, CH4 and
equimolar mixtures, and isosteric heat calculations on these models
substrates were obtained by Monte Carlo simulations. The results were
analyzed in the framework of dual process Langmuir model (DPL) and on
the basis of ideal adsorption solution theory. We found that both
methods predict the adsorption isotherms of mixtures based on pure
components data with reasonable accuracy. It has been demonstrated that
the isosteric heat and selectivity of a mixture are intimately related.
The DPL model does not predict the correct numerical value of
selectivities; however, it predicts the correct behaviour. This is very
useful as a fast method to indicate the adsorption behaviour of mixtures