Absorption and engulfing transitions in nanoparticle infiltration into a polymer brush: A monte carlo simulation

作者：Chen, Yantao; Chen, Jeff Z Y^*

来源：Journal of Polymer Science Part B: Polymer Physics , 2012, 50(1): 21-26.

DOI：10.1002/polb.22369

• adsorption
• Monte Carlo simulation
• nanoparticles
• nanostructure
• polymer brush

We study the structure of an infiltrating hard spherical nanoparticle into a polymer brush using extensive off-lattice Monte Carlo simulations of a basic theoretical model. We show that as long as the spherical particle is coated with a surface layer that interacts attractively with brush monomers, it can penetrate deeply into a dense polymer brush near the grafting surface. The infiltration process contains two stages: diffusing nanoparticle absorbing onto the surface of the polymer brush and engulfing of the nanoparticle by polymer chains. After the nanoparticle fully immerses in the dense polymer brush region, the buoyant forces levels off because of symmetric repulsions that endows increasing nanoparticle mobility and encourages the second transition.

• 出版日期2012-1-1
• 单位深圳大学