Complexation of carboxylate on smectite surfaces

Liu, XD; Lu, XC; Zhang, YC; Zhang, C; Wang, RC

Liu, XD (reprint author), Nanjing Univ, Sch Earth Sci & Engn, State Key Lab Mineral Deposits Res, Nanjing 210093, Jiangsu, Peoples R China.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017; 19 (28): 18400

Abstract

We report a first principles molecular dynamics (FPMD) study of carboxylate complexation on clay surfaces. By taking acetate as a model carboxylate, w......

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