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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 13: Charged Soft Matter, Polyelectrolytes and Ionic Liquids

CPP 13.1: Hauptvortrag

Montag, 9. März 2026, 15:00–15:30, ZEU/0260

Modelling and simulation of pH-sensitive polyelectrolyte microgels — •Stefanie Schneider — Institute of Physical Chemistry, RWTH Aachen University, Aachen, Germany

For weak polyelectrolytes (PE) as well as for weak polyampholytes (PA), not only the pH-pKA value but also the local electrostatic environment of the ionisable group determines the degree of ionisation and structural properties of the polymer. The proximity of already ionised groups, which is enforced by the interconnectivity of the polymer chain, influences the probability of additional groups to become ionised. Therefore, the degree of ionisation for polymers with different architectures differs from the ideal value, obtained for monomers at low concentrations.

Polyelectrolyte and polyampholyte microgels of different topologies have been investigated using constant pH-Monte Carlo simulations. Ionisation, swelling as well as the uptake and release of guest molecules were studied. [1-5]

Especially, the interaction with guest molecules is an important aspect for the use of microgels for drug delivery.

[1] C. Hofzumahaus, P. Hebbeker, S. Schneider, Soft Matter, 2018, 14, 4087.

[2] C. Hofzumahaus, C. Strauch, S. Schneider, Soft Matter, 2021, 17, 6029.

[3] C. Strauch, S. Schneider, Soft Matter, 2023, 19, 938.

[4] C. Strauch, S. Schneider, Soft Matter, 2024, 20, 1263.

[5] C. Strauch, L. Roß, S. Schneider, Soft Matter, 2024, 20, 9664.

Keywords: microgels; polyelectrolytes; simulation; modelling; pH