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. Linear PAs have been investigated theoretical [1] and in computer simulations [2]. PA with a network topology are interesting, because of their possible applications for the pH-triggered uptake and release of guest molecules.
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]
[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.