Repository logo
 
Publication

Equilibrium self-assembly of colloids with distinct interaction sites: Thermodynamics, percolation, and cluster distribution functions

2010-06-21Journal article Open access
Simple item page
dc.contributor.authorTavares, Jose
dc.contributor.authorTeixeira, Paulo
dc.contributor.authorGama, Margarida
dc.contributor.authorSCIORTINO, Francesco
dc.date.accessioned2011-11-28T12:46:50Z
dc.date.available2011-11-28T12:46:50Z
dc.date.issued2010-06-21
dc.description.abstractWe calculate the equilibrium thermodynamic properties, percolation threshold, and cluster distribution functions for a model of associating colloids, which consists of hard spherical particles having on their surfaces three short-ranged attractive sites (sticky spots) of two different types, A and B. The thermodynamic properties are calculated using Wertheim's perturbation theory of associating fluids. This also allows us to find the onset of self-assembly, which can be quantified by the maxima of the specific heat at constant volume. The percolation threshold is derived, under the no-loop assumption, for the correlated bond model: In all cases it is two percolated phases that become identical at a critical point, when one exists. Finally, the cluster size distributions are calculated by mapping the model onto an effective model, characterized by a-state-dependent-functionality (f) over bar and unique bonding probability (p) over bar. The mapping is based on the asymptotic limit of the cluster distributions functions of the generic model and the effective parameters are defined through the requirement that the equilibrium cluster distributions of the true and effective models have the same number-averaged and weight-averaged sizes at all densities and temperatures. We also study the model numerically in the case where BB interactions are missing. In this limit, AB bonds either provide branching between A-chains (Y-junctions) if epsilon(AB)/epsilon(AA) is small, or drive the formation of a hyperbranched polymer if epsilon(AB)/epsilon(AA) is large. We find that the theoretical predictions describe quite accurately the numerical data, especially in the region where Y-junctions are present. There is fairly good agreement between theoretical and numerical results both for the thermodynamic (number of bonds and phase coexistence) and the connectivity properties of the model (cluster size distributions and percolation locus).por
dc.identifier.citationTavares J M, Teixeira P I C, Gama M M T, Sciortino F. Equilibrium self-assembly of colloids with distinct interaction sites: Thermodynamics, percolation, and cluster distribution functions.Journal of Chemical Physics. 2010; 132 (23): Art. No. 234502.por
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10400.21/668
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherAmer Inst Physicspor
dc.relation.ispartofseries23;234502
dc.subjectBonds (chemical)por
dc.subjectChemical equilibriumpor
dc.subjectColloidspor
dc.subjectLiquid structurepor
dc.subjectPercolationpor
dc.subjectPerturbation theorypor
dc.subjectPolymerspor
dc.subjectSelf-assemblypor
dc.subjectSpecific heatpor
dc.titleEquilibrium self-assembly of colloids with distinct interaction sites: Thermodynamics, percolation, and cluster distribution functionspor
dc.typejournal article
dspace.entity.typePublication
oaire.citation.conferencePlaceMelvillepor
oaire.citation.issue132por
oaire.citation.titleJournal of Chemical Physicspor
person.familyNameTavares
person.familyNameTeixeira
person.familyNameTelo da Gama
person.familyNameSCIORTINO
person.givenNameJose
person.givenNamePaulo
person.givenNameMargarida Maria
person.givenNameFrancesco
person.identifierhttps://scholar.google.pt/citations?user=OrsjRkYAAAAJ&hl=pt-PT
person.identifier.ciencia-id371D-51C6-975C
person.identifier.ciencia-idB31A-0CBD-8AC4
person.identifier.ciencia-idB811-A73C-181F
person.identifier.orcid0000-0002-1509-9707
person.identifier.orcid0000-0003-2315-2261
person.identifier.orcid0000-0002-2418-2713
person.identifier.ridA-2891-2009
person.identifier.ridA-2682-2009
person.identifier.scopus-author-id35621140500
person.identifier.scopus-author-id7005895098
person.identifier.scopus-author-id0000-0001-8849-9990
person.identifier.scopus-author-id7005775345
rcaap.rightsrestrictedAccesspor
rcaap.typearticlepor
relation.isAuthorOfPublication21fb8ec6-5b23-4df8-ba97-32256495d24d
relation.isAuthorOfPublication35a012c6-2e8b-402f-9b82-065843fce9aa
relation.isAuthorOfPublication4fde2efd-f48f-4419-b383-74945fb2db28
relation.isAuthorOfPublication93c349ba-3823-4ecd-849d-be1538627a33
relation.isAuthorOfPublication.latestForDiscovery4fde2efd-f48f-4419-b383-74945fb2db28

Files

Original bundle
Now showing 1 - 2 of 2
No Thumbnail Available
Name:
Equilibrium self-assembly of colloids with distinct interaction sites - Thermodynamics, percolation, and cluster distribution functions_rep.pdf
Size:
53.25 KB
Format:
Adobe Portable Document Format
Download
No Thumbnail Available
Name:
Equilibrium self-assembly of colloids with distinct interaction sites.pdf
Size:
503.11 KB
Format:
Adobe Portable Document Format
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

ISEL - Física - Artigos