Sajad Rasouli - Smart Polymers and Nanocomposites Research Group, School of Chemical Engineering, Iran University of Science and Technology (IUST), Tehran ۱۶۸۴۶–۱۳۱۱۴, Iran
Mohammad Reza Moghbeli - Smart Polymers and Nanocomposites Research Group, School of Chemical Engineering, Iran University of Science and Technology (IUST), Tehran ۱۶۸۴۶–۱۳۱۱۴, Iran
Seyed Majid Hashemianzadeh - Molecular Simulation Research Lab, Department of Chemistry, Iran University of Science and Technology (IUST), Tehran ۱۶۸۴۶-۱۳۱۱۴, Iran

In this research work, the dynamic behavioral changes of Poly(N-isopropylacrylamide) (PNIPAm) with 32 repeating units in water was investigated at different temperatures via molecular dynamics (MD) simulations. The built models of PNIPAm/water solutions were at a dilute concentration regime. The considered temperature range was from below to above the PNIPAm lower critical solution temperature (LCST), 305 K. This study was implemented to measure the influence of temperature on the dynamic behavior of PNIPAm chain as a thermoresponsive polymer in water.

Poly(N-isopropylacrylamide), PNIPAm, MD simulation, Dilute polymer solution, Dynamic behavior