Theory of Charge Regulation of Colloidal Particles in Electrolyte Solutions
arXiv:2210.14034 · doi:10.1021/acs.langmuir.2c02313
Abstract
We present a theory that enables us to calculate the effective surface charge of colloidal particles and to efficiently obtain titration curves for different salt concentrations. The theory accounts for the shift of pH of solution due to the presence of 1:1 electrolyte. It also accounts self-consistently for the electrostatic potential produced by the deprotonated surface groups. To examine the accuracy of the theory we have performed extensive reactive Monte Carlo simulations, which show excellent agreement between theory and simulations without any adjustable parameters.
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Cited by in corpus (4)
- A new method for reactive constant pH simulations
- Titration in Canonical and Grand-Canonical Ensembles
- Comment on "Simulations of ionization equilibria in weak polyelectrolyte solutions and gels" by J. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm and P. Ko\v sovan, Soft Matter, 2019,15, 1155-1185
- Charge fluctuations in charge regulated systems: dependence on statistical ensemble