Polyampholyte Brushes Grafted on the Surface of a Spherical Cavity: Effect of the Charged Monomer Sequence, Grafting Density, and Chain Stiffness

Qianqian Cao, Hao You

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

Molecular dynamics simulations are used to study the conformational behaviors of the flexible and semiflexible polyampholytes coated onto the internal surface of a spherical cavity. Dependences of the brush structure and the local conformation of grafted chains on the sequence of charged monomers, the grafting density, and the chain stiffness are addressed. In the range of parameters studied, it was found that a significant transition of the brush structure occurs due to the variation of the charged monomer sequence. As the number of repeat charged monomers increases, both the flexible and semiflexible polyampholyte brushes change to the collapsed conformation. The spherical concave geometry tends to exclude the conformation of chains perpendicular to the grafting surface for the semiflexible case. In addition, we find that most counterions are depleted in the polyampholyte brush due to the strong electrostatic correlation between the oppositely charged monomers.

Original languageEnglish (US)
Pages (from-to)6375-6384
Number of pages10
JournalLangmuir
Volume31
Issue number23
DOIs
StatePublished - Jun 16 2015

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brushes
Brushes
stiffness
monomers
Monomers
Stiffness
Conformations
cavities
Molecular dynamics
Electrostatics
electrostatics
molecular dynamics
Geometry
Computer simulation
geometry
simulation

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry

Cite this

Polyampholyte Brushes Grafted on the Surface of a Spherical Cavity : Effect of the Charged Monomer Sequence, Grafting Density, and Chain Stiffness. / Cao, Qianqian; You, Hao.

In: Langmuir, Vol. 31, No. 23, 16.06.2015, p. 6375-6384.

Research output: Contribution to journalArticle

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