Effect of dielectric discontinuity on a spherical polyelectrolyte brush.
作者： Vinicius B. Tergolina , Alexandre P. dos Santos
DOI: 10.1063/1.5002526
关键词: Chemical physics 、 Brush 、 Nanoparticle 、 Polyelectrolyte 、 Molecular dynamics 、 Dielectric 、 Valency 、 Method of image charges 、 Counterion 、 Materials science
摘要: In this paper we perform molecular dynamics simulations of a spherical polyelectrolyte brush and counterions in salt-free medium. The dielectric discontinuity on the grafted nanoparticle surface is taken into account by method image charges. Properties are obtained for different parameters, including valency counterions, radius nanoparticle, total charge. monovalent density profiles compared with simple mean-field theoretical approach. theory allows us to obtain osmotic properties system.
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