Adsorption of CO<SUB>2</SUB>/CH<SUB>4</SUB> Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations

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...

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Autores principales: Albesa, Alberto Gustavo, Rafti, Matías, Vicente, José Luis, Sánchez, Hernán Rubén, Húmpola, Pablo
Formato: Articulo
Lenguaje:Inglés
Publicado: 2012
Materias:
Química
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/117578
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SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-117578
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Química
spellingShingle Química
Albesa, Alberto Gustavo
Rafti, Matías
Vicente, José Luis
Sánchez, Hernán Rubén
Húmpola, Pablo
Adsorption of CO<SUB>2</SUB>/CH<SUB>4</SUB> Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations
topic_facet Química
description 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.
format Articulo
Articulo
author Albesa, Alberto Gustavo
Rafti, Matías
Vicente, José Luis
Sánchez, Hernán Rubén
Húmpola, Pablo
author_facet Albesa, Alberto Gustavo
Rafti, Matías
Vicente, José Luis
Sánchez, Hernán Rubén
Húmpola, Pablo
author_sort Albesa, Alberto Gustavo
title Adsorption of CO<SUB>2</SUB>/CH<SUB>4</SUB> Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations
title_short Adsorption of CO<SUB>2</SUB>/CH<SUB>4</SUB> Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations
title_full Adsorption of CO<SUB>2</SUB>/CH<SUB>4</SUB> Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations
title_fullStr Adsorption of CO<SUB>2</SUB>/CH<SUB>4</SUB> Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations
title_full_unstemmed Adsorption of CO<SUB>2</SUB>/CH<SUB>4</SUB> Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations
title_sort adsorption of co<sub>2</sub>/ch<sub>4</sub> mixtures in a molecular model of activated carbon through monte carlo simulations
publishDate 2012
url http://sedici.unlp.edu.ar/handle/10915/117578
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