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dc.contributor.author
Longone, Pablo Jesus
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dc.contributor.author
Davila, Mara Veronica
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dc.contributor.author
Riccardo, Jose Luis
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dc.contributor.author
Ramirez Pastor, Antonio Jose
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dc.date.available
2016-05-13T21:33:56Z
dc.date.issued
2013-01
dc.identifier.citation
Longone, Pablo Jesus; Davila, Mara Veronica; Riccardo, Jose Luis; Ramirez Pastor, Antonio Jose; Phase behavior of attractive k-mers on two-dimensional lattices: a study from quasi-chemical approximation; Springer; Adsorption; 19; 2; 1-2013; 509-519
dc.identifier.issn
0929-5607
dc.identifier.uri
http://hdl.handle.net/11336/5667
dc.description.abstract
The phase behavior of attractive linear rigid k-mers on two-dimensional lattices was studied by theoretical and simulation calculations in the framework of the lattice-gas model. Combining (i) the analytical expression for the partition function of non-interacting k-mers, and (ii) a generalization of the classical quasi-chemical approximation (QCA) in which the adsorbate can occupy more than one adsorption site, the main thermodynamic functions of the system were explicitly obtained. It was found that, for temperatures below a certain condensation temperature, the system undergoes a first-order phase transition which is observed as a clear discontinuity in the adsorption isotherms. The transition was studied in detail by calculating the temperature–density phase diagrams. Comparisons with analytical data from Bragg–Williams approximation and Monte Carlo simulations were performed in order to test the validity of the theoretical model. The results obtained allowed us not only to analyze the effect of introducing the lateral interactions by following the configuration-counting procedure of the QCA, but also to discuss the consequences of choosing the configurational factor associated to adsorption of non-interacting k-mers from different models developed to treat the multisite occupancy adsorption problem.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Springer
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Multisite Occupancy Adsorption
dc.subject
Phase Transitions
dc.subject
Quasi- Chemical Approximation
dc.subject.classification
Física de los Materiales Condensados
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dc.subject.classification
Ciencias Físicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Phase behavior of attractive k-mers on two-dimensional lattices: a study from quasi-chemical approximation
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2016-05-13T13:44:51Z
dc.journal.volume
19
dc.journal.number
2
dc.journal.pagination
509-519
dc.journal.pais
Alemania
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dc.journal.ciudad
Berlin
dc.description.fil
Fil: Longone, Pablo Jesus. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
dc.description.fil
Fil: Davila, Mara Veronica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto de Física Aplicada; Argentina
dc.description.fil
Fil: Riccardo, Jose Luis. 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
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://link.springer.com/article/10.1007%2Fs10450-013-9473-z
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/10.1007/s10450-013-9473-z
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1007/s10450-013-9473-z
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