Phys Chem Chem Phys. 2017 Sep 13;19(35):23740-23746. doi: 10.1039/c7cp02434g.
Physical chemistry chemical physics : PCCP
Niels Boon, Peter Schurtenberger
PMID: 28607971 PMCID: PMC5778843 DOI: 10.1039/c7cp02434g
A heterogeneous distribution of crosslinker in micro-hydrogels (microgels) results in a non-uniform polymer density inside the particles. Identifying the morphology of the hydrogel backbone enables a bottom-up approach towards the structural and rheological properties of microgel systems. On a local level we use a Flory-Rehner inspired model that focuses on highly swollen networks, characterized by a Poisson's ratio of 1/4. Our ab initio calculations take account for the nonuniform distribution of crosslinker species during the synthesis of poly(N-isopropylacylamide) (PNIPAM) microgels, yet the method is also applicable to other microgel architectures. We recover a single-particle density profile that is in close agreement with SAXS data. Comparison with experimental data confirms that the surface of the cross-linked particle is decorated with dangling polymers ends of considerable size.
