Molecular Dynamics Study of Polyacrylamide and Polysaccharide-Derived Flocculants Adsorption on Mg(OH)2 Surfaces at pH 11 DOI Open Access
Gonzalo R. Quezada,

Antonia A. Vargas,

Steven Nieto

et al.

Polymers, Journal Year: 2025, Volume and Issue: 17(2), P. 227 - 227

Published: Jan. 17, 2025

Brucite (Mg(OH)2) is a typical precipitate in the mining industry that adversely affects processes such as flotation and thickening. Gaining insights into physicochemical properties of this mineral critical for developing strategies to mitigate these challenges improve operational efficiency. Additionally, incorporating natural-origin polymers aligns with shift toward more sustainable practices. In study, molecular dynamics simulations were employed investigate interaction brucite polysaccharides cellulose, guar gum, alginate compare conventional polymers, including polyacrylamide, hydrolyzed polyacrylic acid, under conditions pH 11 low-salinity water. The methodology enhanced adsorption sampling by additional temporary interactions between polymer surface. results reveal neutral exhibit stronger stable compared charged which consistent nature studied conditions. Van der Waals forces predominantly govern polysaccharides, while Coulombic primarily drive involving polyacrylamides. These findings provide valuable mechanisms polymer-brucite interactions, facilitating development effective additives.

Language: Английский

Synthesis optimization of a hydrophobic cationic flocculant and its mechanism study in clay suspension: experiment and simulation DOI
Na Li,

Yuping Fan,

Xianshu Dong

et al.

Journal of environmental chemical engineering, Journal Year: 2025, Volume and Issue: unknown, P. 115486 - 115486

Published: Jan. 1, 2025

Language: Английский

Citations

0
Molecular Dynamics Study of Polyacrylamide and Polysaccharide-Derived Flocculants Adsorption on Mg(OH)2 Surfaces at pH 11 DOI Open Access
Gonzalo R. Quezada,

Antonia A. Vargas,

Steven Nieto

et al.

Polymers, Journal Year: 2025, Volume and Issue: 17(2), P. 227 - 227

Published: Jan. 17, 2025

Brucite (Mg(OH)2) is a typical precipitate in the mining industry that adversely affects processes such as flotation and thickening. Gaining insights into physicochemical properties of this mineral critical for developing strategies to mitigate these challenges improve operational efficiency. Additionally, incorporating natural-origin polymers aligns with shift toward more sustainable practices. In study, molecular dynamics simulations were employed investigate interaction brucite polysaccharides cellulose, guar gum, alginate compare conventional polymers, including polyacrylamide, hydrolyzed polyacrylic acid, under conditions pH 11 low-salinity water. The methodology enhanced adsorption sampling by additional temporary interactions between polymer surface. results reveal neutral exhibit stronger stable compared charged which consistent nature studied conditions. Van der Waals forces predominantly govern polysaccharides, while Coulombic primarily drive involving polyacrylamides. These findings provide valuable mechanisms polymer-brucite interactions, facilitating development effective additives.

Language: Английский

Citations

0