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Updated: Jun 28, 2026

Characteristics of Precipitation-formed Polyethylene Glycol Microgels Are Controlled by Molecular Weight of Reactants
Published on: December 23, 2013
Predicting the structure and swelling of microgels with different crosslinker concentrations by combining machine
Susana Marín-Aguilar1, Emanuela Zaccarelli1,2
1Department of Physics, Sapienza University of Rome, Piazzale Aldo Moro 2, 00185 Roma, Italy. susana.marinaguilar@uniroma1.it.
None:
Microgels made of poly(N-isopropylacrylamide) are the prototype of soft, thermoresponsive particles widely used to study fundamental problems in condensed matter physics. However, their internal structure is far from homogeneous, and existing mean-field approaches, such as Flory-Rehner theory, provide only qualitative descriptions of their thermoresponsive behavior. Here, we combine machine learning and numerical simulations to accurately predict the concentration and spatial distribution of crosslinkers, the latter hitherto unknown experimentally, as well as the full swelling behavior of microgels, using only polymer density profiles. Our approach provides unprecedented insight into the structural and thermodynamic properties of any standard microgel.
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