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dc.contributor.author
Cornette, Valeria Cecilia  
dc.contributor.author
Alexandre de Oliveira, José Carlos  
dc.contributor.author
Yelpo, Victor Antonio  
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Azevedo, Diana  
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López, Raúl Horacio  
dc.date.available
2019-10-18T21:33:08Z  
dc.date.issued
2018-07  
dc.identifier.citation
Cornette, Valeria Cecilia; Alexandre de Oliveira, José Carlos; Yelpo, Victor Antonio; Azevedo, Diana; López, Raúl Horacio; Binary gas mixture adsorption-induced deformation of microporous carbons by Monte Carlo simulation; Academic Press Inc Elsevier Science; Journal of Colloid and Interface Science; 522; 7-2018; 291-298  
dc.identifier.issn
0021-9797  
dc.identifier.uri
http://hdl.handle.net/11336/86512  
dc.description.abstract
Considering the thermodynamic grand potential for more than one adsorbate in an isothermal system, we generalize the model of adsorption-induced deformation of microporous carbons developed by Kowalczyk et al. [1]. We report a comprehensive study of the effects of adsorption-induced deformation of carbonaceous amorphous porous materials due to adsorption of carbon dioxide, methane and their mixtures. The adsorption process is simulated by using the Grand Canonical Monte Carlo (GCMC) method and the calculations are then used to analyze experimental isotherms for the pure gases and mixtures with different molar fraction in the gas phase. The pore size distribution determined from an experimental isotherm is used for predicting the adsorption-induced deformation of both pure gases and their mixtures. The volumetric strain (ε) predictions from the GCMC method are compared against relevant experiments with good agreement found in the cases of pure gases.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Academic Press Inc Elsevier Science  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
ADSORPTION-INDUCED DEFORMATION  
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MOLECULAR SIMULATIONS  
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POROUS MATERIAL  
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Otras Ciencias Físicas  
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Ciencias Físicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Binary gas mixture adsorption-induced deformation of microporous carbons by Monte Carlo simulation  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2019-10-15T14:13:43Z  
dc.journal.volume
522  
dc.journal.pagination
291-298  
dc.journal.pais
Estados Unidos  
dc.description.fil
Fil: Cornette, Valeria Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina  
dc.description.fil
Fil: Alexandre de Oliveira, José Carlos. Universidade Estadual do Ceará; Brasil  
dc.description.fil
Fil: Yelpo, Victor Antonio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina  
dc.description.fil
Fil: Azevedo, Diana. Universidade Estadual do Ceará; Brasil  
dc.description.fil
Fil: López, Raúl Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina  
dc.journal.title
Journal of Colloid and Interface Science  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1016/j.jcis.2018.03.026  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0021979718302686