Abstract
This study employs molecular dynamics to investigate the conformational changes of a complex comprising two oppositely charged polyelectrolytes and a polyampholyte block copolymer adsorbed on the surface of a spherical metallic nanoparticle, as a function of its electrical charge. A mathematical model is presented for the rearrangement of two macromolecular shells of different signs spread on a charged spherical nanoparticle, together with an estimate of the stiffness of the polyelectrolyte chain as a function of its charge. Radial distributions of the average density of atoms of the polyelectrolyte complex and block copolymer situated on the surface of a charged spherical metallic nanoparticle are calculated. The polyelectrolytes with differing charges in the complex, along with the block copolymer, formed a tight envelope around the neutral spherical nanoparticle. As the absolute value of the nanoparticle charge increased, the macromolecular edge underwent swelling, resulting in the formation of two layers comprising differently charged polyelectrolytes or block copolymer fragments.