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dc.contributor.author
Sanchez Varretti, Fabricio Orlando
dc.contributor.author
García, Guillermo Daniel
dc.contributor.author
Pasinetti, Pedro Marcelo
dc.contributor.author
Ramirez Pastor, Antonio Jose
dc.date.available
2016-05-16T20:12:34Z
dc.date.issued
2014-06
dc.identifier.citation
Sanchez Varretti, Fabricio Orlando; García, Guillermo Daniel; Pasinetti, Pedro Marcelo; Ramirez Pastor, Antonio Jose; Adsorption of binary mixtures on two-dimensional surfaces: theory and Monte Carlo simulations; Springer; Adsorption; 20; 7; 6-2014; 855-862
dc.identifier.issn
0929-5607
dc.identifier.uri
http://hdl.handle.net/11336/5684
dc.description.abstract
The adsorption of binary mixtures on square lattices is studied by combining theoretical modeling and Monte Carlo (MC) simulations in grand canonical ensemble. The adsorption thermodynamics is analyzed through the total and partial isotherms. Two theoretical models have been used in the present study: (i) the first, which we called cluster approximation (CA), is based on exact calculations of configurations on finite cells. An efficient algorithm allows us to calculate the detailed structure of the configuration space for m=l×lm=l×l cells; and (ii) the second is a generalization of the classical quasi-chemical approximation (QCA) in which the adsorbate is a binary mixture of species aa and bb. Adsorbate–adsorbate lateral interactions are incorporated in the context of the two mentioned approximations. Results from CA and QCA are compared with MC simulations. Close agreement between simulated and theoretical data supports the validity of the theoretical models to describe the adsorption of mixed gases on two-dimensional surfaces.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Springer
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Adsorption
dc.subject
Binary Mixtures
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Monte Carlo Simulations
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Quasi-Chemical Approximation
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Adsorption of binary mixtures on two-dimensional surfaces: theory and Monte Carlo simulations
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2016-05-13T15:18:55Z
dc.journal.volume
20
dc.journal.number
7
dc.journal.pagination
855-862
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Nueva York
dc.description.fil
Fil: Sanchez Varretti, Fabricio Orlando. Universidad Tecnologica Nacional. Facultad Regional San Rafael; Argentina
dc.description.fil
Fil: García, Guillermo Daniel. Universidad Tecnologica Nacional. Facultad Regional San Rafael; Argentina
dc.description.fil
Fil: Pasinetti, Pedro Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
dc.description.fil
Fil: Ramirez Pastor, Antonio Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
dc.journal.title
Adsorption
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://link.springer.com/article/10.1007/s10450-014-9627-7
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/10.1007/s10450-014-9627-7
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1007/s10450-014-9627-7
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