The role of available sites in the activity of lattice gases with geometric constraints

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dc.contributor.authorStrobl, Johnathan R.
dc.contributor.authorHarrington, David A.
dc.date.accessioned2019-05-08T19:43:07Z
dc.date.available2019-05-08T19:43:07Z
dc.date.copyright2013en_US
dc.date.issued2013
dc.description.abstractThe activity in lattice-gas systems with geometric constraints is shown to be the ratio of the number of particles to the number of available sites. The key role of sites available for occupation is emphasized. Available sites may be different for different species and are not necessarily just unoccupied sites. Location-specific or non-local constraints are allowed. An analytical expression for the number of available sites is given for the hard-hexagon model. The utility of an expression for available sites is illustrated for the non-trivial case of a mixed Langmuir/hard-hexagon adsorption system, where the influence of the Langmuir adsorbates on the hard-hexagon phase transition is investigated. The dependence on available sites indicates how to extend these results to the kinetic regime and simulations of kinetic voltammograms for the hard-hexagon model are given as an example.en_US
dc.description.reviewstatusRevieweden_US
dc.description.scholarlevelFacultyen_US
dc.description.sponsorshipWe thank the Natural Sciences and Engineering Research Council of Canada (NSERC) for financial support of this research. J.R.S. thanks NSERC and the University of Victoria for scholarships.en_US
dc.identifier.citationStrobl, J.R. & Harrington, D.A. (2013). The Role of Available Sites in the Activity of Lattice Gases with Geometric Constraints. The Journal of Chemical Physics, 139, 104104. https://doi.org/10.1063/1.4820400en_US
dc.identifier.urihttps://doi.org/10.1063/1.4820400
dc.identifier.urihttp://hdl.handle.net/1828/10867
dc.language.isoenen_US
dc.publisherThe Journal of Chemical Physicsen_US
dc.subject.departmentDepartment of Chemistry
dc.titleThe role of available sites in the activity of lattice gases with geometric constraintsen_US
dc.typePostprinten_US

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