Modelling of thermosensitive stereoregular polymers within MARTINI coarse-grained force-field: poly(N-isopropylacrylamide) as a benchmark case

Autor:	Muratov, Alexander D., Markina, Anastasia A., Pergushov, Dmitry V., Avetisov, Vladik A.
Rok vydání:	2021
Předmět:	Condensed Matter - Soft Condensed Matter
Druh dokumentu:	Working Paper
DOI:	10.1063/5.0058510
Popis:	In this article we introduce the MARTINI model of a widely used thermoresponsive polymer, Poly(N-isopropylacrylamide). Importantly, our model takes into account polymer's stereoregularity (i.e. tacticity). We highlight the effect of changing the polarity of coarse-grained particles comprising the polymer on its ability to exhibit a temperature-dependent coil-to-globule transition. Our approach allows to study the behavior of thermoresponsive polymers at large time and length scales. Comment: 10 pages, 4 figures
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/2102.08134 Zobrazit plný text záznamu View this record from Arxiv