Water model determines thermosensitive and physicochemical properties of poly(N-isopropylacrylamide) in molecular simulations

Water model determines thermosensitive and physicochemical properties of poly(N-isopropylacrylamide) in molecular simulations

Poly (N-isopropylacrylamide) (PNIPAM) is a famous representative of thermosensitive polymers. Thermosensitive polymers undergo a phase transition with lower critical solution temperature. Commonly, their phase behavior is linked to a conformational collapse above a certain temperature. This thermose...

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Bibliographic Details
Main Authors: Patrick K. Quoika, Anna S. Kamenik, Monica L. Fernández-Quintero, Martin Zacharias, Klaus R. Liedl
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-01-01
Series:Frontiers in Materials
Subjects:
thermosensitive polymer
PNIPAM
coil-globule transition
molecular dynamics simulations
in silico water models
solvation thermodynamics
Online Access:https://www.frontiersin.org/articles/10.3389/fmats.2023.1005781/full

Internet

https://www.frontiersin.org/articles/10.3389/fmats.2023.1005781/full

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