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Smoluchowski equations for linker-mediated irreversible aggregation

2020-08-28Journal article Open access
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dc.contributor.authorTavares, Jose
dc.contributor.authorAntunes, Goncalo C.
dc.contributor.authorDias, Cristóvão
dc.contributor.authorda Gama, M. M. Telo
dc.contributor.authorAraujo, Nuno
dc.date.accessioned2021-01-18T10:17:32Z
dc.date.available2021-01-18T10:17:32Z
dc.date.issued2020-08-28
dc.description.abstractWe developed a generalized Smoluchowski framework to study linker-mediated aggregation, where linkers and particles are explicitly taken into account. We assume that the bonds between linkers and particles are irreversible, and that clustering occurs through limited diffusion aggregation. The kernel is chosen by analogy with single-component diffusive aggregation but the clusters are distinguished by their number of particles and linkers. We found that the dynamics depends on three relevant factors, all tunable experimentally: (i) the ratio of the diffusion coefficients of particles and linkers; (ii) the relative number of particles and linkers; and (iii) the maximum number of linkers that may bond to a single particle. To solve the Smoluchoski equations analytically we employ a scaling hypothesis that renders the fraction of bondable sites of a cluster independent of the size of the cluster, at each instant. We perform numerical simulations of the corresponding lattice model to test this hypothesis. We obtain results for the asymptotic limit, and the time evolution of the bonding probabilities and the size distribution of the clusters. These findings are in agreement with experimental results reported in the literature and shed light on unexplained experimental observations.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationTAVARES, José M.; [et al] – Smoluchowski equations for linker-mediated irreversible aggregation. Soft Matter. ISSN 1744-683X. Vol. 16, N.º 32 (2020), pp. 7513-7523pt_PT
dc.identifier.doi10.1039/d0sm00674bpt_PT
dc.identifier.eissn1744-6848
dc.identifier.issn1744-683X
dc.identifier.urihttp://hdl.handle.net/10400.21/12635
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherRoyal Society of Chemistrypt_PT
dc.relationPTDC/FIS-MAC/28146/2017 - FCT (LISBOA-01-0145-FEDER-028146)pt_PT
dc.relationUIDB/00618/2020 - FCTpt_PT
dc.relationUIDP/00618/2020 - FCTpt_PT
dc.relationCEECIND/00586/2017 - FCTpt_PT
dc.subjectSmoluchowskipt_PT
dc.subjectLinker-mediated aggregationpt_PT
dc.titleSmoluchowski equations for linker-mediated irreversible aggregationpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage7523pt_PT
oaire.citation.issue32pt_PT
oaire.citation.startPage7513pt_PT
oaire.citation.titleSoft Matterpt_PT
oaire.citation.volume16pt_PT
person.familyNameTavares
person.familyNameAntunes
person.familyNameAraujo
person.givenNameJose
person.givenNameGonçalo
person.givenNameNuno
person.identifier94317
person.identifier.ciencia-id371D-51C6-975C
person.identifier.ciencia-id1911-2734-E4A4
person.identifier.ciencia-id311C-5114-3346
person.identifier.orcid0000-0002-1509-9707
person.identifier.orcid0000-0003-4799-9408
person.identifier.orcid0000-0003-0307-2563
person.identifier.orcid0000-0002-1677-6060
person.identifier.ridA-2891-2009
person.identifier.ridH-1785-2019
person.identifier.ridB-6313-2008
person.identifier.scopus-author-id35621140500
person.identifier.scopus-author-id13607656900
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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relation.isAuthorOfPublicationb7b82c22-e1d9-4d51-80e3-e5c204ee4d9d
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relation.isAuthorOfPublication.latestForDiscoverybcdefb6b-b537-4714-bd0c-087993f43c18

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