Adsorption of CO/CH 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 CO 2 , CH 4 and equimolar mixtures, and isosteric heat calculations on these models substrates were obtained by Monte Carlo simulations. T...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
SAGE Publishing
2012-09-01
|
| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/0263-6174.30.8-9.669 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1841564628577943552 |
|---|---|
| author | Alberto G. Albesa Matías Rafti José L. Vicente Hernán Sánchez Pablo Húmpola |
| author_facet | Alberto G. Albesa Matías Rafti José L. Vicente Hernán Sánchez Pablo Húmpola |
| author_sort | Alberto G. Albesa |
| collection | DOAJ |
| 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 CO 2 , CH 4 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 | Article |
| id | doaj-art-11a12cca1f98442892ecc9c3836f31ed |
| institution | Kabale University |
| issn | 0263-6174 2048-4038 |
| language | English |
| publishDate | 2012-09-01 |
| publisher | SAGE Publishing |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj-art-11a12cca1f98442892ecc9c3836f31ed2025-01-02T22:37:05ZengSAGE PublishingAdsorption Science & Technology0263-61742048-40382012-09-013010.1260/0263-6174.30.8-9.669Adsorption of CO/CH Mixtures in a Molecular Model of Activated Carbon through Monte Carlo SimulationsAlberto G. Albesa0Matías Rafti1José L. Vicente2Hernán Sánchez3Pablo Húmpola4 Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA) UNLP-CIC-CONICET, Casilla de Correo 16, Sucursal 4, 1900 La Plata, Argentina Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA) UNLP-CIC-CONICET, Casilla de Correo 16, Sucursal 4, 1900 La Plata, Argentina Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA) UNLP-CIC-CONICET, Casilla de Correo 16, Sucursal 4, 1900 La Plata, Argentina Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA) UNLP-CIC-CONICET, Casilla de Correo 16, Sucursal 4, 1900 La Plata, Argentina Cátedra de Química Inorgánica, Facultad de Bioquímica y Ciencias Biológicas, Universidad del Litoral, CC242 3000, Santa Fe, ArgentinaIn this article, a nanoporous carbon model based on units of polyaromatic molecules with different number of rings is described. The adsorption isotherms of pure CO 2 , CH 4 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.https://doi.org/10.1260/0263-6174.30.8-9.669 |
| spellingShingle | Alberto G. Albesa Matías Rafti José L. Vicente Hernán Sánchez Pablo Húmpola Adsorption of CO/CH Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations Adsorption Science & Technology |
| title | Adsorption of CO/CH Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations |
| title_full | Adsorption of CO/CH Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations |
| title_fullStr | Adsorption of CO/CH Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations |
| title_full_unstemmed | Adsorption of CO/CH Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations |
| title_short | Adsorption of CO/CH Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations |
| title_sort | adsorption of co ch mixtures in a molecular model of activated carbon through monte carlo simulations |
| url | https://doi.org/10.1260/0263-6174.30.8-9.669 |
| work_keys_str_mv | AT albertogalbesa adsorptionofcochmixturesinamolecularmodelofactivatedcarbonthroughmontecarlosimulations AT matiasrafti adsorptionofcochmixturesinamolecularmodelofactivatedcarbonthroughmontecarlosimulations AT joselvicente adsorptionofcochmixturesinamolecularmodelofactivatedcarbonthroughmontecarlosimulations AT hernansanchez adsorptionofcochmixturesinamolecularmodelofactivatedcarbonthroughmontecarlosimulations AT pablohumpola adsorptionofcochmixturesinamolecularmodelofactivatedcarbonthroughmontecarlosimulations |