Repository logo
 
Publication

Phase diagrams of particles with dissimilar patches: X-junctions and Y-junctions

2012-07-18Journal article Open access
Simple item page
dc.contributor.authorTavares, Jose
dc.contributor.authorTeixeira, Paulo
dc.date.accessioned2012-11-02T17:43:53Z
dc.date.available2012-11-02T17:43:53Z
dc.date.issued2012-07-18
dc.description.abstractWe use Wertheim's first-order perturbation theory to investigate the phase behaviour and the structure of coexisting fluid phases for a model of patchy particles with dissimilar patches (two patches of type A and f(B) patches of type B). A patch of type alpha = {A, B} can bond to a patch of type beta = {A, B} in a volume nu(alpha beta), thereby decreasing the internal energy by epsilon(alpha beta). We analyse the range of model parameters where AB bonds, or Y-junctions, are energetically disfavoured (epsilon(AB) < epsilon(AA)/2) but entropically favoured (nu(AB) >> nu(alpha alpha)), and BB bonds, or X-junctions, are energetically favoured (epsilon(BB) > 0). We show that, for low values of epsilon(BB)/epsilon(AA), the phase diagram has three different regions: (i) close to the critical temperature a low-density liquid composed of long chains and rich in Y-junctions coexists with a vapour of chains; (ii) at intermediate temperatures there is coexistence between a vapour of short chains and a liquid of very long chains with X-and Y-junctions; (iii) at low temperatures an ideal gas coexists with a high-density liquid with all possible AA and BB bonds formed. It is also shown that in region (i) the liquid binodal is reentrant (its density decreases with decreasing temperature) for the lower values of epsilon(BB)/epsilon(AA). The existence of these three regions is a consequence of the competition between the formation of X- and Y-junctions: X-junctions are energetically favoured and thus dominate at low temperatures, whereas Y-junctions are entropically favoured and dominate at higher temperatures.por
dc.identifier.citationTavares J M, Teixeira P I C. Phase diagrams of particles with dissimilar patches: X-junctions and Y-junctions. Journal of Physics-Condensed Matter. 2012; 28 (24).por
dc.identifier.issn0953-8984
dc.identifier.urihttp://hdl.handle.net/10400.21/1884
dc.language.isoengpor
dc.peerreviewedyespor
dc.publisherIop Publishing LTDpor
dc.relation.ispartofseries;284108
dc.subjectDipolar Particlespor
dc.subjectFluidspor
dc.subjectSitespor
dc.titlePhase diagrams of particles with dissimilar patches: X-junctions and Y-junctionspor
dc.typejournal article
dspace.entity.typePublication
oaire.citation.conferencePlaceBristolpor
oaire.citation.issue28por
oaire.citation.titleJournal of Physics-Condensed Matterpor
oaire.citation.volume24por
person.familyNameTavares
person.familyNameTeixeira
person.givenNameJose
person.givenNamePaulo
person.identifier.ciencia-id371D-51C6-975C
person.identifier.ciencia-idB31A-0CBD-8AC4
person.identifier.orcid0000-0002-1509-9707
person.identifier.orcid0000-0003-2315-2261
person.identifier.ridA-2891-2009
person.identifier.ridA-2682-2009
person.identifier.scopus-author-id35621140500
person.identifier.scopus-author-id7005895098
rcaap.rightsrestrictedAccesspor
rcaap.typearticlepor
relation.isAuthorOfPublication21fb8ec6-5b23-4df8-ba97-32256495d24d
relation.isAuthorOfPublication35a012c6-2e8b-402f-9b82-065843fce9aa
relation.isAuthorOfPublication.latestForDiscovery21fb8ec6-5b23-4df8-ba97-32256495d24d

Files

Original bundle
Now showing 1 - 2 of 2
No Thumbnail Available
Name:
Phase diagrams of particles with dissimilar patches.rep.pdf
Size:
198.19 KB
Format:
Adobe Portable Document Format
Download
No Thumbnail Available
Name:
Phase diagrams of particles.pdf
Size:
443.9 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