Orientational prewetting of planar solid substrates by a model liquid crystal

dc.contributor.authorGreschek, Manuel
dc.contributor.authorSchoen, Martin
dc.date.accessioned2022-01-06T17:12:53Z
dc.date.available2022-01-06T17:12:53Z
dc.date.issued2011-11-22
dc.descriptionThis article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Chem. Phys. 135, 204702 (2011) and may be found at https://doi.org/10.1063/1.3660377.en
dc.description.abstractWe present grand canonical ensemble Monte Carlo simulations of prewetting transitions in a model liquid crystal at structureless solid substrates. Molecules of the liquid crystal interact via anisometric Lennard-Jones potentials and can be anchored planar or homeotropically at the substrates. Fluid-substrate attraction is modeled by a Yukawa potential of variable range. By monitoring the grand-potential density and the nematic order parameter as functions of the chemical potential μ, several discontinuous prewetting, wetting, and isotropic-nematic phase transitions are observed. These transitions depend on both the range of the fluid-substrate attraction and the specific anchoring at the substrate. Our results show that at substrates characterized by degenerate anchoring prewetting occurs at lower μ compared with cases in which the anchoring is monostable. This indicates that prewetting transitions are driven by orientational entropy because degenerate anchoring allows for more orientationally distinct configurations of molecules compared with monostable anchoring. In addition, by analyzing local density and various local order parameters, a detailed picture of the structure of various phases emerges from our simulations.en
dc.description.sponsorshipDFG, 65143814, GRK 1524: Self-Assembled Soft-Matter Nanostructures at Interfacesen
dc.identifier.eissn1089-7690
dc.identifier.issn0021-9606
dc.identifier.pmid22128947
dc.identifier.urihttps://depositonce.tu-berlin.de/handle/11303/16081
dc.identifier.urihttp://dx.doi.org/10.14279/depositonce-14855
dc.language.isoenen
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subject.ddc540 Chemie und zugeordnete Wissenschaftende
dc.subject.otherthin filmsen
dc.subject.othernematic liquid crystalen
dc.subject.otherMonte Carlo simulationen
dc.subject.otherthermodynamic functionsen
dc.subject.otherwetting transitionen
dc.subject.otherintermolecular forcesen
dc.subject.otherentropyen
dc.subject.otherstatistical thermodynamicsen
dc.subject.otherliquid crystalsen
dc.subject.otherphase transitionsen
dc.subject.otherdensity functional theoryen
dc.subject.otherelementary particle interactionsen
dc.titleOrientational prewetting of planar solid substrates by a model liquid crystalen
dc.typeArticleen
dc.type.versionpublishedVersionen
dcterms.bibliographicCitation.articlenumber204702en
dcterms.bibliographicCitation.doi10.1063/1.3660377en
dcterms.bibliographicCitation.issue20en
dcterms.bibliographicCitation.journaltitleJournal of Chemical Physicsen
dcterms.bibliographicCitation.originalpublishernameAmerican Institute of Physics (AIP)en
dcterms.bibliographicCitation.originalpublisherplaceMelville, NYen
dcterms.bibliographicCitation.volume135en
tub.accessrights.dnbdomainen
tub.affiliationFak. 2 Mathematik und Naturwissenschaften>Inst. Chemie>FG Theoretische Chemiede
tub.affiliation.facultyFak. 2 Mathematik und Naturwissenschaftende
tub.affiliation.groupFG Theoretische Chemiede
tub.affiliation.instituteInst. Chemiede
tub.publisher.universityorinstitutionTechnische Universität Berlinen
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