Poly(N-isopropylacrylamide) (PNIPAM) is a thermo-sensitive polymer displaying a coil-to- globule transition above its lower critical solution temperature (LCST = 305 K). As its LCST is close to the human body temperature, PNIPAM is an attractive candidate for in-vivo applications such as drug delivery. In this work, we have developed new coarse-grained (CG) models for PNIPAM that could reproduce the experimental LCST of ~305 K. We have also studied brush structures of PNIPAM using this new CG model of PNIPAM to study the effect of grafting density and chain length on its coil-to-globule transition.<br/>

Coarse-grained models of thermo-sensitive polymers

254th National Meeting (2017)

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