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dc.contributor.author
Speyer, Kevin  
dc.contributor.author
Pastorino, Claudio  
dc.date.available
2018-04-10T20:23:29Z  
dc.date.issued
2015-06  
dc.identifier.citation
Speyer, Kevin; Pastorino, Claudio; Brushes of semiflexible polymers in equilibrium and under flow in a super-hydrophobic regime; Royal Society of Chemistry; Soft Matter; 11; 27; 6-2015; 5473-5484  
dc.identifier.issn
1744-683X  
dc.identifier.uri
http://hdl.handle.net/11336/41604  
dc.description.abstract
We performed molecular dynamics simulations to study the equilibrium and flow properties of a liquid ina nano-channel with confining surfaces coated with a layer of grafted semiflexible polymers. Thecoverage spans a wide range of grafting densities from essentially isolated chains to dense brushes. Theend-grafted polymers were described by a bead spring model with a harmonic potential to includethe bond stiffness of the chains. We varied the rigidity of the chains, from fully flexible polymers to rigidrods, in which the configurational entropy of the chains is negligible. The brush?liquid interaction wastuned to obtain a super-hydrophobic channel, in which the liquid did not penetrate the polymer brush,giving rise to a Cassie?Baxter state. Equilibrium properties such as brush height and bending energywere measured, varying the grafting density and the stiffness of the polymers. We also studied the char-acteristics of the brush?liquid interface and the morphology of the polymer chains supporting the liquidfor different bending rigidities. Non-equilibrium simulations were performed, moving the walls of thechannel in opposite directions at constant speed, obtaining a Couette velocity profile in the bulk liquid.The molecular degrees of freedom of the polymers were studied as a function of the Weissenbergnumber. Also, the violation of the no-slip boundary condition and the slip properties were analyzed as afunction of the shear rate, grafting density and bending stiffness. At high grafting densities, a finite sliplength independent of the shear rate or bending constant was found, while at low grafting densities avery interesting non-monotonic dependence on the bending constant is observed.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Royal Society of Chemistry  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Microfluidics  
dc.subject
Polymer  
dc.subject
Brushes  
dc.subject
Superhydrophobic  
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Astronomía  
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Ciencias Físicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Brushes of semiflexible polymers in equilibrium and under flow in a super-hydrophobic regime  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2018-04-10T17:53:54Z  
dc.journal.volume
11  
dc.journal.number
27  
dc.journal.pagination
5473-5484  
dc.journal.pais
Reino Unido  
dc.journal.ciudad
Cambridge  
dc.description.fil
Fil: Speyer, Kevin. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina  
dc.description.fil
Fil: Pastorino, Claudio. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina  
dc.journal.title
Soft Matter  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2015/sm/c5sm01075f/unauth#!divAbstract  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/c5sm01075f