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Percolation in binary mixtures of linkers and particles: Chaining vs branching

2022-10-28Journal article Restricted access
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dc.contributor.authorGouveia, M.
dc.contributor.authorDias, Cristóvão
dc.contributor.authorTavares, Jose
dc.date.accessioned2023-05-04T09:01:49Z
dc.date.available2023-05-04T09:01:49Z
dc.date.issued2022-10-28
dc.description.abstractEquilibrium gels of colloidal particles can be realized through the introduction of a second species, a linker that mediates the bonds between colloids. A gel forming binary mixture whose linkers can self-assemble into linear chains while still promoting the aggregation of particles is considered in this work. The particles are patchy particles with f(C) patches of type C and the linkers are patchy particles with 2 patches of type A and f(B) patches of type B. The bonds between patches of type A (AA bonds) promote the formation of linear chains of linkers. Two different ways (model A and model B) of bonding the linkers to the particles-or inducing branching-are studied. In model A, there is a competition between chaining and branching, since the bonding between linkers and particles takes place through AC bonds only. In model B, the linkers aggregate to particles through bonds BC only, making chaining and branching independent. The percolation behavior of these two models is studied in detail, employing a generalized Flory-Stockmayer theory and Monte Carlo simulations. The self-assembly of linkers into chains reduces the fraction of particles needed for percolation to occur (models A and B) and induces percolation when the fraction of particles is high (model B). Percolation by heating and percolation loops in temperature-composition diagrams are obtained when the formation of chains is energetically favorable by increasing the entropic gain of branching (model A). Chaining and branching are found to follow a model dependent relation at percolation, which shows that, for the same composition, longer chains require less branching for percolation to occur.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationGOUVEIA, M.; DIAS, C. S.; TAVARES, J. M. – Percolation in binary mixtures of linkers and particles: Chaining vs branching. Journal of Chemical Physics. ISSN 0021-9606. Vol. 157, N.º 16 (2022), pp. 164903-1- 164903-12.pt_PT
dc.identifier.doi10.1063/5.0118889pt_PT
dc.identifier.eissn1089-7690
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10400.21/15973
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherAIP Publishingpt_PT
dc.relationLISBOA-01-0145-FEDER-028146 - FCTpt_PT
dc.relationNot Available
dc.relationCenter for Theoretical and Computational Physics
dc.relationCenter for Theoretical and Computational Physics
dc.relation.publisherversionhttps://pubs.aip.org/aip/jcp/article/157/16/164903/2842161/Percolation-in-binary-mixtures-of-linkers-andpt_PT
dc.subjectBinary mixturept_PT
dc.subjectChaining and branchingpt_PT
dc.subjectPercolationpt_PT
dc.titlePercolation in binary mixtures of linkers and particles: Chaining vs branchingpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleNot Available
oaire.awardTitleCenter for Theoretical and Computational Physics
oaire.awardTitleCenter for Theoretical and Computational Physics
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/9471 - RIDTI/PTDC%2FFIS-MAC%2F28146%2F2017/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FFIS-MAC%2F5689%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/CEEC IND 2017/CEECIND%2F00586%2F2017%2FCP1387%2FCT0009/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00618%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00618%2F2020/PT
oaire.citation.endPage164903-12pt_PT
oaire.citation.issue16pt_PT
oaire.citation.startPage164903-1pt_PT
oaire.citation.titleJournal of Chemical Physicspt_PT
oaire.citation.volume157pt_PT
oaire.fundingStream9471 - RIDTI
oaire.fundingStream3599-PPCDT
oaire.fundingStreamCEEC IND 2017
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
person.familyNameTavares
person.givenNameJose
person.identifier.ciencia-id1911-2734-E4A4
person.identifier.ciencia-id371D-51C6-975C
person.identifier.orcid0000-0003-0307-2563
person.identifier.orcid0000-0002-1509-9707
person.identifier.ridA-2891-2009
person.identifier.scopus-author-id35621140500
project.funder.identifierhttp://doi.org/10.13039/501100001871
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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
project.funder.nameFundação para a Ciência e a Tecnologia
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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