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dc.contributor.author
Pastorino, Claudio
dc.contributor.author
Müller, M.
dc.date.available
2022-12-21T11:58:18Z
dc.date.issued
2021-01
dc.identifier.citation
Pastorino, Claudio; Müller, M.; Liquid and Droplet Transport in Brush-Coated Cylindrical Nanochannels: Brush-Assisted Droplet Formation; American Chemical Society; Journal of Physical Chemistry B; 125; 1; 1-2021; 442-449
dc.identifier.issn
1520-6106
dc.identifier.uri
http://hdl.handle.net/11336/181900
dc.description.abstract
We study, by coarse-grained molecular dynamics simulations, equilibrium and flow properties of a liquid in cylindrical nanochannels, coated with polymer brushes. The parameters of the interaction potential model confer a chemical incompatibility between brush monomers and liquid particles. First, we study cylindrical channels whose radii are larger than the brush height and a continuous column of liquid forms at the center of the channel. These results are contrasted to the limiting case in which the radius of the cylinder is comparable to the brush height. In this second case, the grafted polymers interact across the channel and "close"it. We observe a train of droplets as the stable liquid morphology. The droplet size is comparable to the cylinder radius. By applying a constant body force onto the liquid, we induce a Poiseuille-like flow and investigate the morphology and flow rate as a function of driving force. Upon increasing the driving force, we encounter a nonequilibrium transition from a closed channel with slowly moving droplets to a flowing liquid thread at the center. The switching between these two states is reversible.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
polymer brushes
dc.subject
droplets
dc.subject
microfluidics
dc.subject
molecular dynamics
dc.subject.classification
Física de los Materiales Condensados
dc.subject.classification
Ciencias Físicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Liquid and Droplet Transport in Brush-Coated Cylindrical Nanochannels: Brush-Assisted Droplet Formation
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2022-10-04T14:45:25Z
dc.journal.volume
125
dc.journal.number
1
dc.journal.pagination
442-449
dc.journal.pais
Estados Unidos
dc.description.fil
Fil: Pastorino, Claudio. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Constituyentes | Comisión Nacional de Energía Atómica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología. Unidad Ejecutora Instituto de Nanociencia y Nanotecnología - Nodo Constituyentes; Argentina
dc.description.fil
Fil: Müller, M.. Institut Für Theoretische Physik; Alemania
dc.journal.title
Journal of Physical Chemistry B
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpcb.0c09189
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