Entropy Rules: Molecular Dynamics Simulations of Model Oligomers for Thermoresponsive Polymers

Entropy Rules: Molecular Dynamics Simulations of Model Oligomers for Thermoresponsive Polymers

We attempted to attain atomic-scale insights into the mechanism of the heat-induced phase transition of two thermoresponsive polymers containing amide groups, poly(<i>N</i>-isopropylacrylamide) (PNIPAM) and poly(2-isopropyl-2-oxazoline) (PIPOZ), and we succeeded in reproducing the existe...

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Bibliographic Details
Main Authors: Alexander Kantardjiev, Petko M. Ivanov
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Entropy
Subjects:
molecular dynamics
entropy calculation
thermoresponsive polymers
lower critical solution temperature
GROMACS—GPU calculations
Online Access:https://www.mdpi.com/1099-4300/22/10/1187

Internet

https://www.mdpi.com/1099-4300/22/10/1187

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