Monte Carlo Simulations of pH-Sensitive Polyelectrolyte Microgels

Explore Monte Carlo simulation techniques for studying pH-sensitive polyelectrolyte microgels in this 23-minute conference lecture from the Erwin Schrödinger International Institute for Mathematics and Physics. Discover how weak polyelectrolytes and polyampholytes respond to pH changes and local electrostatic environments, where the degree of ionization depends not only on pH-pKA values but also on the proximity of already ionized groups within the polymer chain. Learn about the differences between polymer architectures and how network topology affects ionization behavior compared to ideal monomeric systems. Examine computational studies of polyelectrolyte and polyampholyte microgels with various topologies, focusing on ionization processes, swelling behavior, and the pH-triggered uptake and release of guest molecules. Understand the theoretical foundations and simulation methodologies used to investigate these complex soft matter systems, with insights into their potential applications for controlled molecular delivery systems.