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Theory of Charge Regulation of Colloidal Particles in Electrolyte Solutions.

Amin BakhshandehDerek FrydelYan Levin
Published in: Langmuir : the ACS journal of surfaces and colloids (2022)
We present a theory that enables us to (i) calculate the effective surface charge of colloidal particles and (ii) 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.
Keyphrases
  • monte carlo
  • ionic liquid
  • molecular dynamics
  • solid state
  • climate change
  • solar cells
  • ion batteries