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Dynamics of patchy particles in and out of equilibrium

2018-04-05Journal article Restricted access
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dc.contributor.authorTavares, Jose
dc.contributor.authorDias, Cristóvão
dc.contributor.authorAraujo, Nuno
dc.contributor.authorGama, Margarida
dc.date.accessioned2018-12-03T13:38:22Z
dc.date.available2018-12-03T13:38:22Z
dc.date.issued2018-04-05
dc.description.abstractWe combine particle-based simulations, mean-field rate equations, and Wertheim's theory to study the dynamics of patchy particles in and out of equilibrium, at different temperatures and densities. We consider an initial random distribution of nonoverlapping three-patch particles, with no bonds, and analyze the time evolution of the breaking and bonding rates of a single bond. We find that the asymptotic (equilibrium) dynamics differs from the initial (out of equilibrium) one. These differences are expected to depend on the initial conditions, temperature, and density.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationTAVARES, José Maria; [et al] – Dynamics of patchy particles in and out of equilibrium. Journal of Physical Chemistry B. ISSN 1520-6106. Vol. 122, N.º 13 SI (2018), pp. 3514-3518pt_PT
dc.identifier.doi10.1021/acs.jpcb.7b10726pt_PT
dc.identifier.issn1520-6106
dc.identifier.urihttp://hdl.handle.net/10400.21/9124
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherAmerican Chemical Societypt_PT
dc.relationIF/00255/2013 - FCTpt_PT
dc.relationSFRH/BPD/114839/2016 - FCTpt_PT
dc.relation.publisherversionhttps://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.7b10726pt_PT
dc.subjectNonoverlapping three-patch particlespt_PT
dc.subjectAsymptotic dynamicspt_PT
dc.titleDynamics of patchy particles in and out of equilibriumpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/EXCL%2FFIS-NAN%2F0083%2F2012/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FFIS%2F00618%2F2013/PT
oaire.citation.endPage3518pt_PT
oaire.citation.issue122pt_PT
oaire.citation.startPage3514pt_PT
oaire.citation.titleJournal of Physical Chemistry Bpt_PT
oaire.citation.volume13pt_PT
oaire.fundingStream3599-PPCDT
oaire.fundingStream5876
person.familyNameTavares
person.familyNameAraujo
person.familyNameTelo da Gama
person.givenNameJose
person.givenNameNuno
person.givenNameMargarida Maria
person.identifier94317
person.identifierhttps://scholar.google.pt/citations?user=OrsjRkYAAAAJ&hl=pt-PT
person.identifier.ciencia-id371D-51C6-975C
person.identifier.ciencia-id1911-2734-E4A4
person.identifier.ciencia-id311C-5114-3346
person.identifier.ciencia-idB811-A73C-181F
person.identifier.orcid0000-0002-1509-9707
person.identifier.orcid0000-0003-0307-2563
person.identifier.orcid0000-0002-1677-6060
person.identifier.ridA-2891-2009
person.identifier.ridB-6313-2008
person.identifier.scopus-author-id35621140500
person.identifier.scopus-author-id13607656900
person.identifier.scopus-author-id0000-0001-8849-9990
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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