Molecular dynamics simulation study on the mechanism of nanoparticle dispersion stability with polymer and surfactant additives

[Display omitted] •Self-assembly characteristics of nanoparticle, polymer and surfactant are studied.•Molecular dynamics mechanism of Coulomb, vdW and hydration effects is analyzed.•An electric triple layer structure for self-assembly aggregate is established.•The attraction layer in Gouy-Chapman-St...

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Bibliographic Details

Published in:	Chemical engineering science Vol. 298; p. 120425
Main Authors:	Xu, Na, Lv, Yaodong, Zhang, Laiqiang, Zhang, Shiwen, Li, Xin, Liu, Fei, Li, Zixuan, Zhang, Wei
Format:	Journal Article
Language:	English
Published:	Elsevier Ltd 05.10.2024
Subjects:	Coarse-grained molecular dynamics simulation Dispersion and stability Electric layer structure Nanoparticle Self-assembly characteristics Surface interaction Dispersion and stability Self-assembly characteristics Coarse-grained molecular dynamics simulation Surface interaction Electric layer structure Nanoparticle
ISSN:	0009-2509
Online Access:	Get full text
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