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Chaohui Tong. The Collapse of Polyelectrolyte Brushes Made of 4-arm Stars Under An Electric Field in the Presence of Trivalent Salt Coions[J]. Chinese Journal of Chemical Physics .
Citation: Chaohui Tong. The Collapse of Polyelectrolyte Brushes Made of 4-arm Stars Under An Electric Field in the Presence of Trivalent Salt Coions[J]. Chinese Journal of Chemical Physics .

The Collapse of Polyelectrolyte Brushes Made of 4-arm Stars Under An Electric Field in the Presence of Trivalent Salt Coions

  • Accepted Date: 2020-07-02
  • Langevin Dynamics (LD) simulations were conducted to study the collapse of grafted partially charged 4-arm star chains onto the oppositely charged grafting electrode in the presence of trivalent salt coions. Simulation results revealed that the average charge fraction of the grafted star chains and the salt concentration play critical roles in the competitive adsorption of charged monomers and trivalent salt coions onto the oppositely charged electrode. For grafted star chains with relatively high charge fraction, charged monomers are the dominant species collapsing on the oppositely charged electrode with the emergence of charge reversal on the grafting electrode. At a low charge fraction such that the total amount of charges on a grafted star molecule is comparable to that of a trivalent salt coion, trivalent salt coions absorb more strongly onto the electrode than grafted stars even at very low salt concentration. It was found that at relatively low charge fraction of star chains, the addition of trivalent salt coions does not lead to charge overcompensation of the surface charges on the grafting electrode. The stretching of star brushes under an electric field in the presence of trivalent salt coions was also briefly investigated.
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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The Collapse of Polyelectrolyte Brushes Made of 4-arm Stars Under An Electric Field in the Presence of Trivalent Salt Coions

Abstract: Langevin Dynamics (LD) simulations were conducted to study the collapse of grafted partially charged 4-arm star chains onto the oppositely charged grafting electrode in the presence of trivalent salt coions. Simulation results revealed that the average charge fraction of the grafted star chains and the salt concentration play critical roles in the competitive adsorption of charged monomers and trivalent salt coions onto the oppositely charged electrode. For grafted star chains with relatively high charge fraction, charged monomers are the dominant species collapsing on the oppositely charged electrode with the emergence of charge reversal on the grafting electrode. At a low charge fraction such that the total amount of charges on a grafted star molecule is comparable to that of a trivalent salt coion, trivalent salt coions absorb more strongly onto the electrode than grafted stars even at very low salt concentration. It was found that at relatively low charge fraction of star chains, the addition of trivalent salt coions does not lead to charge overcompensation of the surface charges on the grafting electrode. The stretching of star brushes under an electric field in the presence of trivalent salt coions was also briefly investigated.

Chaohui Tong. The Collapse of Polyelectrolyte Brushes Made of 4-arm Stars Under An Electric Field in the Presence of Trivalent Salt Coions[J]. Chinese Journal of Chemical Physics .
Citation: Chaohui Tong. The Collapse of Polyelectrolyte Brushes Made of 4-arm Stars Under An Electric Field in the Presence of Trivalent Salt Coions[J]. Chinese Journal of Chemical Physics .

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