Sequestration of Small Ions and Weak Acids and Bases by a Polyelectrolyte Complex Studied by Simulation and Experiment.

ABSTRACT: Mixing of oppositely charged polyelectrolytes can result in phase separation into a polymer-poor supernatant and a polymer-rich polyelectrolyte complex (PEC). We present a new coarse-grained model for the Grand-reaction method that enables us to determine the composition of the coexisting phases in a broad range of pH and salt concentrations. We validate the model by comparing it to recent simulations and experimental studies, as well as our own experiments on poly(acrylic acid)/poly(allylamine hydrochloride) complexes. The simulations using our model predict that monovalent ions partition approximately equally between both phases, whereas divalent ones accumulate in the PEC phase. On a semiquantitative level, these results agree with our own experiments, as well as with other experiments

SUBMITTER: Stano R 

PROVIDER: S-EPMC10867894 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature