Effect of Charge Distribution Along Anionic Polyacrylamide Chains on Quartz Adsorption: A Molecular Dynamics Study.

ABSTRACT: The interfacial behavior of polyelectrolytic flocculants is governed not only by their chemical composition but also by the molecular-scale distribution of charged and neutral segments, which directly influences transport, adsorption, and interfacial stability. In this work, classical molecular dynamics simulations are used to elucidate how charge-site architecture controls the conformation, dynamics, and adsorption stability of anionic polyacrylamides at the quartz-water interface. Polymer architectures ranging from homogeneous charge distributions to block-like arrangements were systematically analyzed at constant molecular weight and global charge density. The results show that increasing charge segregation induces more compact conformations, enhanced translational mobility in solution,

SUBMITTER: Quezada GR 

PROVIDER: S-EPMC12899174 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature