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Phase behavior of a binary mixture of patchy colloids: Effect of particle size and gravity

2021-07-26Journal article Restricted access
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dc.contributor.authorBraz Teixeira, Rodrigo
dc.contributor.authorde las Heras, Daniel
dc.contributor.authorTavares, Jose
dc.contributor.authorGama, Margarida
dc.date.accessioned2021-08-27T09:21:32Z
dc.date.available2021-08-27T09:21:32Z
dc.date.issued2021-07-26
dc.description.abstractWe study theoretically the effect of size difference and that of gravity in the phase behavior of a binary mixture of patchy particles. The species, 2A and 3B, have two A and three B patches, respectively, and only bonds between patches A and B (AB bonds) are allowed. This model describes colloidal systems where the aggregation of particles (3B) is mediated and controlled by a second species, the linkers (2A) to which they bind strongly. Thermodynamic calculations are performed using Wertheim’s perturbation theory with a hard sphere reference term that accounts for the difference in the size of the two species. Percolation lines are determined employing a generalized Flory–Stockmayer theory, and the effects of gravity are included through a local density approximation. The bulk phase diagrams are calculated, and all the stacking sequences generated in the presence of gravity are determined and classified in a stacking diagram. The relative size of the particles can be used to control the phase behavior of the mixture. An increase in the size of particles 3B, relative to the size of the linkers 2A, is found to promote mixing while keeping the percolating structures and, in certain cases, leads to changes in the stacking sequence under gravity.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationTEIXEIRA, Rodrigo Braz; [et al] – Phase behavior of a binary mixture of patchy colloids: Effect of particle size and gravity. Journal of Chemical Physics. ISSN 0021-9606. Vol. 155, N.º 4 (2021), pp. 044903-1- 044903-12pt_PT
dc.identifier.doi10.1063/5.0056652pt_PT
dc.identifier.eissn1089-7690
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10400.21/13658
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherAIP Publishingpt_PT
dc.relationProject No. 436306241 - German Research Foundation (DFG)pt_PT
dc.relationCenter for Theoretical and Computational Physics
dc.relationCenter for Theoretical and Computational Physics
dc.relation.publisherversionhttps://aip.scitation.org/doi/pdf/10.1063/5.0056652pt_PT
dc.subjectBinary mixturept_PT
dc.subjectPatchy particlespt_PT
dc.subjectSpecies 2A and 3Bpt_PT
dc.subjectColloidal systemspt_PT
dc.subjectWertheim’s perturbation theorypt_PT
dc.subjectFlory–Stockmayer theorypt_PT
dc.subjectStacking diagrampt_PT
dc.titlePhase behavior of a binary mixture of patchy colloids: Effect of particle size and gravitypt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleCenter for Theoretical and Computational Physics
oaire.awardTitleCenter for Theoretical and Computational Physics
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.endPage044903-12pt_PT
oaire.citation.issue4
oaire.citation.startPage044903-1pt_PT
oaire.citation.titleJournal of Chemical Physicspt_PT
oaire.citation.volume155pt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
person.familyNameBraz Teixeira
person.familyNamede las Heras
person.familyNameTavares
person.familyNameTelo da Gama
person.givenNameRodrigo
person.givenNameDaniel
person.givenNameJose
person.givenNameMargarida Maria
person.identifierhttps://scholar.google.pt/citations?user=OrsjRkYAAAAJ&hl=pt-PT
person.identifier.ciencia-id3D1E-DE5E-8985
person.identifier.ciencia-id371D-51C6-975C
person.identifier.ciencia-idB811-A73C-181F
person.identifier.orcid0000-0003-1324-7689
person.identifier.orcid0000-0003-3219-0518
person.identifier.orcid0000-0002-1509-9707
person.identifier.ridC-4356-2011
person.identifier.ridA-2891-2009
person.identifier.scopus-author-id35621140500
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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