Monte Carlo study of polyelectrolyte adsorption: isolated chains on a planar charged surface
Year: 1991
Type: article
Abstract: ABSTRAcrMonte-Carlo simulations are presented for a lattice model of an isolated, partially ionized polyelectrolyte near an impenetrable, oppositely ionized surface.We consider the effects of chain ionization, chain hydrophobicity, surface charge density, and solution ionic strength on the conformational and interfacial properties of the model system.The overall .dimensions of model polyelectrolytes in the adsorbed state are found to be similar to those of isolated polyelectrolytes in solution; however, the conformational isotropy characteristic of isolated chains is lost when the polymer adsorbs at an interface.The conformational anisotropy of adsorbed chains is described here by calculating the components of the polymer end-to-end distance in directions parallel and orthogonal to the interface.Detailed structural features of the adsorbed chains are described by the distributions of tails, trains and loops.Tails are found to be favored at low degrees of chain ionization, while trains become more favorable at high degrees of ionization.The number of adsorbed chain segments (e.g., degree of adsorption) increases with the surface charge density, and decreases with increasing solution ionic strength; for some conditions, this degree of adsorption becomes a relatively strong function of external conditions.
Source: Macromolecules
DOI: 10.1021/ma00011a021
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W1977167127