Wetting transitions of polymer solutions: Effects of chain length and chain stiffness.
J Chem Phys
; 156(4): 044901, 2022 Jan 28.
Article
en En
| MEDLINE
| ID: mdl-35105074
Wetting and drying phenomena are studied for flexible and semiflexible polymer solutions via coarse-grained molecular dynamics simulations and density functional theory calculations. This study is based on the use of Young's equation for the contact angle, determining all relevant surface tensions from the anisotropy of the pressure tensor. The solvent quality (or effective temperature, equivalently) is varied systematically, while all other interactions remain unaltered. For flexible polymers, the wetting transition temperature Tw increases monotonically with chain length N, while the contact angle at temperatures far below Tw is independent of N. For semiflexible polymer solutions, Tw varies non-monotonically with the persistence length: Initially, Tw increases with increasing chain stiffness and reaches a maximum, but then a sudden drop of Tw is observed, which is associated with the isotropic-nematic transition of the system.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
J Chem Phys
Año:
2022
Tipo del documento:
Article
País de afiliación:
Alemania
Pais de publicación:
Estados Unidos