Temperature dependence of conformational properties of short polyelectrolytes from simulations at a single temperature

dc.contributor.authorChahine, J. [UNESP]
dc.contributor.authorGuimarães, M. A. [UNESP]
dc.contributor.authorCavichiolli, F. R. [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-27T11:17:57Z
dc.date.available2014-05-27T11:17:57Z
dc.date.issued1994-12-01
dc.description.abstractWe use a series expansion method introduced recently by Rickman and Phillpot (Phys. Rev. Lett. 1991, 66, 349) to study the temperature dependent conformational properties of short ionized polyelectrolyte chains in ionic solutions by conducting simulations at a single temperature. The charged beads located at the sites of a cubic lattice interact through screened Coulombic interactions. It is shown that this method provides results that correlate with other Monte Carlo simulations, performed over a range of temperatures, where conformational transitions induced by thermal and screening effects occur. It is also shown that the method can be used successfully when the potential is weakly dependent on temperature. © 1994 American Chemical Society.en
dc.description.affiliationInstituto de Biociências Letras e Ciências Exatas Universidade Estadual Paulista, 15054-000 Sao Jose do Rio Preto-SP
dc.description.affiliationUnespInstituto de Biociências Letras e Ciências Exatas Universidade Estadual Paulista, 15054-000 Sao Jose do Rio Preto-SP
dc.format.extent9845-9849
dc.identifierhttp://dx.doi.org/10.1021/j100090a019
dc.identifier.citationJournal of Physical Chemistry, v. 98, n. 39, p. 9845-9849, 1994.
dc.identifier.doi10.1021/j100090a019
dc.identifier.issn0022-3654
dc.identifier.scopus2-s2.0-0042878203
dc.identifier.urihttp://hdl.handle.net/11449/132362
dc.identifier.wosWOS:A1994PJ46900022
dc.language.isoeng
dc.publisherAmer Chemical Soc
dc.relation.ispartofJournal of Physical Chemistry
dc.rights.accessRightsAcesso restrito
dc.sourceScopus
dc.titleTemperature dependence of conformational properties of short polyelectrolytes from simulations at a single temperatureen
dc.typeArtigo
dcterms.licensehttp://pubs.acs.org/paragonplus/copyright/jpa_form_a.pdf
dcterms.rightsHolderAmer Chemical Soc

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