- PII
- S3034608825060097-1
- DOI
- 10.7868/S3034608825060097
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 59 / Issue number 6
- Pages
- 440-450
- Abstract
- The structure rearrangement of polyelectrolyte shell on the surface of a charged spherical nanoparticle is investigated by methods of statistical theory of macromolecules and molecular dynamics. A mathematical model of conformational changes of adsorbed polyelectrolyte on the surface of a spherical nanoparticle is presented, and radial dependences of the concentration of macrochain links depending on the sign and magnitude of the nanoparticle charge are obtained. Molecular dynamic modeling of polypeptides with different degrees of polyelectrolyte on the surface of a charged spherical gold nanoparticle was performed. When the absolute value of the opposite sign charge on the spherical nanoparticle increased with respect to the charge of the macrochain, the polyelectrolyte shell at the surface of the nanoparticle was dense, while a loose layer of neutral macrochain links was formed at the periphery. On the uniformly charged surface of the spherical nanoparticle, the polyelectrolyte shell gradually swelled with increase in the absolute value of the nanoparticle charge and desorbed the earlier the higher the degree of polyelectrolyticity of the macrochain was.
- Keywords
- наночастица полиэлектролит конформационная перестройка полимерная оболочка молекулярная динамика
- Date of publication
- 01.07.2025
- Year of publication
- 2025
- Number of purchasers
- 0
- Views
- 22
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