Daoulas, Kostas Ch.

[["dc.bibliographiccitation.firstpage","10491"],["dc.bibliographiccitation.issue","22"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","10502"],["dc.bibliographiccitation.volume","13"],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Steinmueller, Birger"],["dc.contributor.author","Daoulas, Kostas Ch."],["dc.contributor.author","Ramirez-Hernandez, Abelardo"],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T09:01:53Z"],["dc.date.available","2018-11-07T09:01:53Z"],["dc.date.issued","2011"],["dc.description.abstract","The ability of soft, coarse-grained models to describe the narrow interface of a nearly incompressible polymer melt in contact with a solid is explored by numerical self-consistent field calculations and Monte-Carlo simulations. We investigate the effect of the discreteness of the bead-spring architecture by quantitatively comparing the results of a bead-spring model with different number of beads, N, but identical end-to-end distance, R(e), and a continuous Gaussian-thread model. If the width, xi, of the narrow polymer-solid contact is smaller or comparable to the length of a statistical segment, b = R(e)/root N-1, strong differences in the interface tension and the density profiles between the two models are observed, and strategies for compensating the discrete nature of the bead-spring model are investigated. Compensating the discretization of the chain contour in the bead-spring model by applying an external segment-solid potential, we simultaneously adjust the interface tension and the density profile to the predictions of the Gaussian-thread model. We suggest that the geometry of the polymer-solid contact and the interface tension are relevant characteristics that a coarse-grained model of polymer-solid contacts must reproduce in order to establish a quantitative relationship to an experimental system."],["dc.description.sponsorship","DFG [Mu1674/9, SPP 1369]"],["dc.identifier.doi","10.1039/c0cp02868a"],["dc.identifier.isi","000290994900012"],["dc.identifier.pmid","21431143"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/10267"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/24541"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","Polymer-solid contacts described by soft, coarse-grained models"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]