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Controlled Transport of Flexible Polymers in Slit and Cylindrical Pores Coated with Polymer Brushes: Insight from Dissipative Particle Dynamics.
Posel, Zbysek; Svoboda, Martin; Lísal, Martin.
Afiliación
  • Posel Z; J. E. Purkinje University, Faculty of Science, Department of Informatics, ceské Mládeze 8, Ústí nad Labem, 400 96, Czech Republic.
  • Svoboda M; Laboratory of Aerosols Chemistry and Physics, Institute of Chemical Process Fundamentals of the Czech Academy of Science, v. v. i., Rozvojová 135/1, 165 02-Prague, Czech Republic.
  • Lísal M; Laboratory of Aerosols Chemistry and Physics, Institute of Chemical Process Fundamentals of the Czech Academy of Science, v. v. i., Rozvojová 135/1, 165 02-Prague, Czech Republic.
J Nanosci Nanotechnol ; 19(5): 2943-2949, 2019 05 01.
Article en En | MEDLINE | ID: mdl-30501804
We use dissipative particle dynamics to simulate the controlled transport of flexible polymers through coated slit and cylindrical pores. Pores are coated inside with solvent-sensitive polymer brushes. Stretch-to-collapse transition then controls the permeability of the coated pores. We change the solvent quality with respect to the polymer brushes and study the flow of flexible polymers through the pores. We show that stretched brush chains close the pores and compress the polymers in the centre of the pores. The collapsed brush chains relieve compression and rapid change in permeability is observed. In open pore state, polymers partially accommodate on the brush layer and partially migrate towards the center of the pores, where the flux is maximal. Finally, we observe that polymers tend to align in the direction of the flow.

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Nanosci Nanotechnol Año: 2019 Tipo del documento: Article País de afiliación: República Checa Pais de publicación: Estados Unidos

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Nanosci Nanotechnol Año: 2019 Tipo del documento: Article País de afiliación: República Checa Pais de publicación: Estados Unidos