Abstract
Combining nuclear magnetic resonance (NMR), dynamic light scattering (DLS), and μs long all-atom simulations with two million particles, we establish a delicate correlation between increased side chain organization of PNIPAm and its collapse in aqueous methanol mixtures. We find that the preferential binding of methanol with PNIPAm side chains, bridging distal monomers along the polymer backbone, results in increased organization. Furthermore, methanol–PNIPAm preferential binding is dominated by hydrogen bonding. Our findings reveal that the collapse of PNIPAm is dominated by enthalpic interactions and that the standard poor solvent (entropic) effects play no major role.
Document Type
Article
Publication Date
9-2-2016
Digital Object Identifier (DOI)
https://doi.org/10.1039/C6SM01789D
Repository Citation
Mukherji, Debashish; Wagner, Manfred; Watson, Mark D.; Winzen, Svenja; de Oliveira, Tiago E. E.; Marques, Carlos M.; and Kremer, Kurt, "Relating Side Chain Organization of PNIPAm with its Conformation in Aqueous Methanol" (2016). Chemistry Faculty Publications. 93.
https://uknowledge.uky.edu/chemistry_facpub/93
Notes/Citation Information
Published in Soft Matter, v. 12, issue 38, p. 7995-8003.
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