Conformational changes of two oppositely charged polyelectrolytes, including those combined into a single block copolymer, on the surface of a charged or transversely polarized cylindrical metal nanowire

Abstract

Using molecular dynamics modeling, the change in the conformational structure of the macromolecular corona consisting of two oppositely charged polyelectrolytes, including those combined into one block copolymer, on the neutral and charged surfaces of a cylindrical metal nanowire, as well as on a nanowire polarized in an external transverse uniform electric field is studied. A mathematical model of the conformations of polyelectrolyte chains and block copolymers adsorbed on charged and polarized cylindrical metal nanoparticles is presented. On the uncharged surface of the cylindrical nanowire, macromolecules of oppositely charged polyelectrolytes, including those sequentially connected into one block copolymer, intertwine with each other and form a tightly enveloping corona. On the uniformly charged surface of the nanowire, swelling of the macromolecular corona occurred due to its separation into differently charged coaxial macromolecular layers. When a metal nanowire was placed in an external transversely directed electric field, the macromolecular shell was stratified in the direction of the transverse polarization of the nanowire, and the charged layers of the polymer corona in the polar regions of the nanocylinder swelled.