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Interplay of distinct modes of charge regulation on poly-acid ionization and conformation

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arxiv 2508.07055 v2 pith:MR4EKCE3 submitted 2025-08-09 cond-mat.soft cond-mat.stat-mech

Interplay of distinct modes of charge regulation on poly-acid ionization and conformation

Souradeep Ghosh , Aritra Chowdhury , Dylan T. Tomares , Benjamin Schuler , Arindam Kundagrami , Rohit V. Pappu This is my paper
classification cond-mat.soft cond-mat.stat-mech
keywords chargeconventionalinterplayshiftsadaptanti-behaviorsbinding
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We adapt the Edwards-Muthukumar theoretical framework for a single polymer chain to investigate the interplay between proton binding and counterion condensation for poly-acids. We find that changes to pH enable non-monotonic transitions between anti- and conventional polyelectrolyte behaviors. In the former, the net charge and the overall dimensions increase with increasing salt concentration, while the converse is true for conventional polyelectrolytes. The polymeric nature and local solvent polarization drive significant pKa shifts when compared to the values of reference monoacids. These pKa shifts are enhanced in semi-flexible chains.

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