Publicação
Self-assembly in chains, rings, and branches: a single component system with two critical points
| Resumo: | We study the interplay between phase separation and self-assembly in chains, rings, and branched structures in a model of particles with dissimilar patches. We extend Wertheim's first order perturbation theory to include the effects of ring formation and to theoretically investigate the thermodynamics of the model. We find a peculiar shape for the vapor-liquid coexistence, featuring reentrant behavior in both phases and two critical points, despite the single-component nature of the system. The emergence of the lower critical point is caused by the self-assembly of rings taking place in the vapor, generating a phase with lower energy and lower entropy than the liquid. Monte Carlo simulations of the same model fully support these unconventional theoretical predictions. |
|---|---|
| Autores principais: | Rovigatti, Lorenzo |
| Outros Autores: | Tavares, Jose; SCIORTINO, Francesco |
| Assunto: | Directional Attractive Forces Dipolar Hard-Spheres Monte-Carlo Associating Fluids Model Saft Particles Clusters Sites |
| Ano: | 2013 |
| País: | Portugal |
| Tipo de documento: | artigo |
| Tipo de acesso: | acesso restrito |
| Instituição associada: | Instituto Politécnico de Lisboa |
| Idioma: | inglês |
| Origem: | Repositório Científico do Instituto Politécnico de Lisboa |
| _version_ | 1863853314489188352 |
|---|---|
| author | Rovigatti, Lorenzo |
| author2 | Tavares, Jose SCIORTINO, Francesco |
| author2_role | author author |
| author_facet | Rovigatti, Lorenzo Tavares, Jose SCIORTINO, Francesco |
| author_role | author |
| contributor_name_str_mv | RCIPL |
| country_str | PT |
| creators_json_str | [{\"Person.name\":\"Rovigatti, Lorenzo\",\"Person.identifier.orcid\":\"0000-0001-5017-2829\"},{\"Person.name\":\"Tavares, Jose\",\"Person.identifier.orcid\":\"0000-0002-1509-9707\"},{\"Person.name\":\"SCIORTINO, Francesco\",\"Person.identifier.orcid\":\"0000-0002-2418-2713\"}] |
| datacite.contributors.contributor.contributorName.fl_str_mv | RCIPL |
| datacite.creators.creator.creatorName.fl_str_mv | Rovigatti, Lorenzo Tavares, Jose SCIORTINO, Francesco |
| datacite.date.Accepted.fl_str_mv | 2013-10-14T00:00:00Z |
| datacite.date.available.fl_str_mv | 2014-09-18T15:18:59Z |
| datacite.date.embargoed.fl_str_mv | 2014-09-18T15:18:59Z |
| datacite.rights.fl_str_mv | http://purl.org/coar/access_right/c_16ec |
| datacite.subjects.subject.fl_str_mv | Directional Attractive Forces Dipolar Hard-Spheres Monte-Carlo Associating Fluids Model Saft Particles Clusters Sites |
| datacite.titles.title.fl_str_mv | Self-assembly in chains, rings, and branches: a single component system with two critical points |
| dc.contributor.none.fl_str_mv | RCIPL |
| dc.creator.none.fl_str_mv | Rovigatti, Lorenzo Tavares, Jose SCIORTINO, Francesco |
| dc.date.Accepted.fl_str_mv | 2013-10-14T00:00:00Z |
| dc.date.available.fl_str_mv | 2014-09-18T15:18:59Z |
| dc.date.embargoed.fl_str_mv | 2014-09-18T15:18:59Z |
| dc.format.none.fl_str_mv | application/pdf |
| dc.identifier.none.fl_str_mv | http://hdl.handle.net/10400.21/3822 |
| dc.language.none.fl_str_mv | eng |
| dc.publisher.none.fl_str_mv | Amer Physical SOC |
| dc.rights.none.fl_str_mv | http://purl.org/coar/access_right/c_16ec |
| dc.subject.none.fl_str_mv | Directional Attractive Forces Dipolar Hard-Spheres Monte-Carlo Associating Fluids Model Saft Particles Clusters Sites |
| dc.title.fl_str_mv | Self-assembly in chains, rings, and branches: a single component system with two critical points |
| dc.type.none.fl_str_mv | http://purl.org/coar/resource_type/c_6501 |
| description | We study the interplay between phase separation and self-assembly in chains, rings, and branched structures in a model of particles with dissimilar patches. We extend Wertheim's first order perturbation theory to include the effects of ring formation and to theoretically investigate the thermodynamics of the model. We find a peculiar shape for the vapor-liquid coexistence, featuring reentrant behavior in both phases and two critical points, despite the single-component nature of the system. The emergence of the lower critical point is caused by the self-assembly of rings taking place in the vapor, generating a phase with lower energy and lower entropy than the liquid. Monte Carlo simulations of the same model fully support these unconventional theoretical predictions. |
| dirty | 0 |
| eu_rights_str_mv | restrictedAccess |
| format | article |
| fulltext.url.fl_str_mv | https://repositorio.ipl.pt/bitstreams/21fded5f-13b6-4b27-8d32-b53ee69b72f9/download |
| id | ripl_045c2d3ceea94a389f494cb080b2d25e |
| identifier.url.fl_str_mv | http://hdl.handle.net/10400.21/3822 |
| instacron_str | ipl |
| institution | Instituto Politécnico de Lisboa |
| instname_str | Instituto Politécnico de Lisboa |
| language | eng |
| network_acronym_str | ripl |
| network_name_str | Repositório Científico do Instituto Politécnico de Lisboa |
| oai_identifier_str | oai:repositorio.ipl.pt:10400.21/3822 |
| organization_str_mv | urn:organizationAcronym:ipl |
| person_str_mv | Rovigatti, Lorenzo Rovigatti, Lorenzo http://orcid.org/0000-0001-5017-2829 0000-0001-5017-2829 Tavares, Jose Tavares, Jose https://www.ciencia-id.pt/371D-51C6-975C 371D-51C6-975C http://orcid.org/0000-0002-1509-9707 0000-0002-1509-9707 SCIORTINO, Francesco SCIORTINO, Francesco http://orcid.org/0000-0002-2418-2713 0000-0002-2418-2713 |
| publishDate | 2013 |
| publisher.none.fl_str_mv | Amer Physical SOC |
| reponame_str | Repositório Científico do Instituto Politécnico de Lisboa |
| repository_id_str | urn:repositoryAcronym:ripl |
| service_str_mv | urn:repositoryAcronym:ripl |
| spelling | engAmer Physical SOCporWe study the interplay between phase separation and self-assembly in chains, rings, and branched structures in a model of particles with dissimilar patches. We extend Wertheim's first order perturbation theory to include the effects of ring formation and to theoretically investigate the thermodynamics of the model. We find a peculiar shape for the vapor-liquid coexistence, featuring reentrant behavior in both phases and two critical points, despite the single-component nature of the system. The emergence of the lower critical point is caused by the self-assembly of rings taking place in the vapor, generating a phase with lower energy and lower entropy than the liquid. Monte Carlo simulations of the same model fully support these unconventional theoretical predictions.application/pdfporSelf-assembly in chains, rings, and branches: a single component system with two critical pointsPersonalRovigatti, LorenzoDSpacehttp://dspace.org/items/8b210448-ead8-4774-8314-98cfa9d902eeDSpacehttp://dspace.org/items/8b210448-ead8-4774-8314-98cfa9d902eeRovigattiLorenzoORCIDhttp://orcid.org0000-0001-5017-2829PersonalTavares, JoseDSpacehttp://dspace.org/items/21fb8ec6-5b23-4df8-ba97-32256495d24dDSpacehttp://dspace.org/items/21fb8ec6-5b23-4df8-ba97-32256495d24dTavaresJoseCiência IDhttps://www.ciencia-id.pt371D-51C6-975CORCIDhttp://orcid.org0000-0002-1509-9707Researcher IDhttps://www.researcherid.comA-2891-2009Researcher IDhttps://www.researcherid.comA-2891-2009Scopus Author IDhttps://www.scopus.com35621140500PersonalSCIORTINO, FrancescoDSpacehttp://dspace.org/items/93c349ba-3823-4ecd-849d-be1538627a33DSpacehttp://dspace.org/items/93c349ba-3823-4ecd-849d-be1538627a33SCIORTINOFrancescoORCIDhttp://orcid.org0000-0002-2418-2713Scopus Author IDhttps://www.scopus.com7005775345HostingInstitutionOrganizationalRCIPLe-mailmailto:rcaap@sp.ipl.ptrcaap@sp.ipl.ptISSNIsPartOf0031-9007ISSNIsPartOf1079-7114DOIIsPartOf10.1103/PhysRevLett.111.1683022014-09-18T15:18:59Z2013-10-142013-10-14T00:00:00ZHandlehttp://hdl.handle.net/10400.21/3822http://purl.org/coar/access_right/c_16ecrestricted accessDirectional Attractive ForcesDipolar Hard-SpheresMonte-CarloAssociating FluidsModelSaftParticlesClustersSites263433 bytesliteraturehttp://purl.org/coar/resource_type/c_6501journal articlehttp://purl.org/coar/access_right/c_16ecapplication/pdffulltexthttps://repositorio.ipl.pt/bitstreams/21fded5f-13b6-4b27-8d32-b53ee69b72f9/downloadPhysical Review Letters11116USA |
| spellingShingle | Self-assembly in chains, rings, and branches: a single component system with two critical points Rovigatti, Lorenzo Directional Attractive Forces Dipolar Hard-Spheres Monte-Carlo Associating Fluids Model Saft Particles Clusters Sites |
| subject.fl_str_mv | Directional Attractive Forces Dipolar Hard-Spheres Monte-Carlo Associating Fluids Model Saft Particles Clusters Sites |
| title | Self-assembly in chains, rings, and branches: a single component system with two critical points |
| title_full | Self-assembly in chains, rings, and branches: a single component system with two critical points |
| title_fullStr | Self-assembly in chains, rings, and branches: a single component system with two critical points |
| title_full_unstemmed | Self-assembly in chains, rings, and branches: a single component system with two critical points |
| title_short | Self-assembly in chains, rings, and branches: a single component system with two critical points |
| title_sort | Self-assembly in chains, rings, and branches: a single component system with two critical points |
| topic | Directional Attractive Forces Dipolar Hard-Spheres Monte-Carlo Associating Fluids Model Saft Particles Clusters Sites |
| topic_facet | Directional Attractive Forces Dipolar Hard-Spheres Monte-Carlo Associating Fluids Model Saft Particles Clusters Sites |
| url | http://hdl.handle.net/10400.21/3822 |
| visible | 1 |