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Theoretical evaluation of flotation performance of carboxyl hydroxamic acids with different number of polar groups on the surfaces of diaspore (010) and kaolinite (001) |
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| Authors: | Fang-ping Wang Guo-ping Zhan Yu-ren Jiang Jing-nan Guo Zhi-gang Yin Rui Feng |
| Institution: | 1. College of Chemistry and Chemical Engineering, Central South University, Changsha, 410083, People’s Republic of China 2. SINOPEC Catalyst Company, Yueyang, 414000, People’s Republic of China 3. College of Chemistry and Chemical Engineering, HU NAN University, Changsha, 410000, People’s Republic of China |
| Abstract: | 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. Carboxyl hydroxamic acids with different number of polar groups on the surfaces of diaspore (010) and kaolinite (001) |
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