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dc.contributor.authorKrott, Leandro Batirollapt_BR
dc.contributor.authorBarbosa, Marcia Cristina Bernardespt_BR
dc.date.accessioned2020-01-30T04:10:05Zpt_BR
dc.date.issued2013pt_BR
dc.identifier.issn0021-9606pt_BR
dc.identifier.urihttp://hdl.handle.net/10183/205132pt_BR
dc.description.abstractUsing molecular dynamic simulations we study a waterlike model confined between two fixed hydrophobic plates. The system is tested for density, diffusion, and structural anomalous behavior and compared with the bulk results. Within the range of confining distances we had explored and observed that in the pressure-temperature phase diagram the temperature of maximum density (TMD line) and the temperature of maximum and minimum diffusion occur at lower temperatures when compared with the bulk values. For distances between the two layers below a certain threshold, d <= dc, only two layers of particles are formed, for d >= dc three or more layers are formed. In the case of three layers the central layer stays liquid while the contact layers crystallize. This result is in agreement with simulations for atomistic models.en
dc.format.mimetypeapplication/pdfpt_BR
dc.language.isoengpt_BR
dc.relation.ispartofThe journal of chemical physics. New York. Vol. 138, no. 8 (Feb. 2013), 084505, 12 p.pt_BR
dc.rightsOpen Accessen
dc.subjectDinâmica molecularpt_BR
dc.subjectDiagramas de fasept_BR
dc.subjectDifusãopt_BR
dc.subjectCristalizaçãopt_BR
dc.subjectÁguapt_BR
dc.subjectMétodo de Monte Carlopt_BR
dc.subjectEstrutura líqüidapt_BR
dc.subjectHidrofobicidadept_BR
dc.titleAnomalies in a waterlike model confined between platespt_BR
dc.typeArtigo de periódicopt_BR
dc.identifier.nrb000900443pt_BR
dc.type.originEstrangeiropt_BR


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