Theoretical evaluation of flotation performance of carboxyl hydroxamic acids with different number of polar groups on the surfaces of diaspore (010) and kaolinite (001).

Autor: Wang FP; College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, People's Republic of China., Zhan GP, Jiang YR, Guo JN, Yin ZG, Feng R
Jazyk: angličtina
Zdroj: Journal of molecular modeling [J Mol Model] 2013 Aug; Vol. 19 (8), pp. 3135-42. Date of Electronic Publication: 2013 Apr 23.
DOI: 10.1007/s00894-013-1843-7
Abstrakt: The adsorption behaviors of three carboxyl hydroxamic acids on diaspore (010) and kaolinite (001) have been studied by density functional theory (DFT) and molecular dynamics (MD) method. The results indicated that carboxyl hydroxamic acids could adsorb on diaspore surface by ionic bonds and hydrogen bonds, and adsorb on kaolinite surface by hydrogen bonds. The models of carboxyl hydroxamic acids adsorbed on diaspore and kaolinite surfaces are proposed.
Databáze: MEDLINE
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