Dynamic core - Shell structures in two-state models of neutral water-soluble polymers

N. Yoshinaga, D. J. Bicout, E. I. Kats, A. Halperin

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


Monte Carlo simulation of annealed copolymers of solvophobic/solvophilic monomers show collapsed globular states having dynamic core-shell structures. In these, the core is mostly solvophobic while the core boundary contains an excess of solvophilic monomers. This two-state model, where each monomer undergoes interconversion between solvophobic and solvophilic state, is a minimal version of models of neutral water-soluble polymers such as PEO. The reduced surface tension of such core-shell structures suggests an explanation of the stability of PNIPAM globules as observed in the experiments of Wang et al. [Wang, X.; Qiu, X.; Wu, C. Macromolecules 1998, 31, 2972]. The statistics of the monomeric states along the chain vary with the degree of chain swelling. They are differ from those of quenched copolymers designed to create water-soluble globules though both systems involve a core-shell structure.

Original languageEnglish
Pages (from-to)2201-2209
Number of pages9
Issue number6
Publication statusPublished - 2007 Mar 20


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