Polyelectrolyte brushes in monovalent and multivalent salt solutions

摘要: Abstract Langevin dynamics simulations are performed to study polyelectrolyte brushes by varying the chain grafting density σg, added salt valence Z, and concentration Cs. The brush thickness H follows a scaling relation in monovalent solutions as C s − 0.15 , decreasing more slowly than prediction. In divalent trivalent solutions, acquires minimum value at stoichiometric point, then levels off slightly increases, respectively. shape orientation of chains change with Cs accordingly. An electric double layer is formed around rim, revealed calculation vertical charge distribution. Increasing reduces width layer. Side-view further shows how three parameters transform profile from an individual-chain distribution homogeneous one. Finally, about 90% charges neutralized ions trapped brushes. It found that ion condensation on can be described Manning's theory sparse dilute conditions.