Molecular Dynamics Simulation Study on the Interactions of Mixed Cationic/Anionic Collectors on Muscovite (001) Surface in Aqueous Solution
In this study, the adsorption mechanisms of dodecylamine hydrochloride(DDAHC), sodium dodecyl sulfate (SDS), sodium dodecyl benzene sulfonate(SDBS), and their mixed anionic/cationic collectors at ten different molar ratios on a muscovite (Mcv) surface in neutral aqueous solution were assessed by mol...
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2022-05-01
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| Online Access: | https://www.mdpi.com/1996-1944/15/11/3816 |
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| author | Yuli Di Ao Jiang Haiyan Huang Lin Deng Dafu Zhang Wenwei Deng Rui Wang Qian Luo Shanhua Chen |
| author_facet | Yuli Di Ao Jiang Haiyan Huang Lin Deng Dafu Zhang Wenwei Deng Rui Wang Qian Luo Shanhua Chen |
| author_sort | Yuli Di |
| collection | DOAJ |
| description | In this study, the adsorption mechanisms of dodecylamine hydrochloride(DDAHC), sodium dodecyl sulfate (SDS), sodium dodecyl benzene sulfonate(SDBS), and their mixed anionic/cationic collectors at ten different molar ratios on a muscovite (Mcv) surface in neutral aqueous solution were assessed by molecular dynamics simulations (MDS). According to the snapshot, interaction energy, radial distribution function (RDF), and density profile between the Mcv surface and collector molecules, the individual DDAHC collector was an effective collector for the flotation of Mcv. The molar ratio of anionic/cationic collectors was determined to be an essential factor in the flotation recovery of Mcv. The DDAHC collector was involved in the adsorption of the mixed anionic/cationic collectors on the Mcv (001) surface, whereas SDS and SDBS collectors were co-adsorbed with DDAHC. The mixed cationic/anionic collector showed the best adsorption on the Mcv surface in a molar ratio of 2. Additionally, SDBS, which has one more benzene ring than SDS, was more likely to form spherical micelles with DDAHC, thus resulting in better adsorption on the Mcv surface. The results of micro-flotation experiments indicated that the DDAHC collector could improve the flotation recovery of Mcv in neutral aqueous solution, which was in agreement with MDS-derived findings. In conclusion, DDAHC alone is the optimum collector for Mcv flotation under the neutral aqueous conditions, while the mixture of DDAHC and SDBS collectors (molar ratio = 2:1) exhibits the similar flotation performance. |
| first_indexed | 2024-03-10T01:09:00Z |
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| id | doaj.art-18dd1e4bcd4141918f3c45a6b30dd3ae |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-10T01:09:00Z |
| publishDate | 2022-05-01 |
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| series | Materials |
| spelling | doaj.art-18dd1e4bcd4141918f3c45a6b30dd3ae2023-11-23T14:20:41ZengMDPI AGMaterials1996-19442022-05-011511381610.3390/ma15113816Molecular Dynamics Simulation Study on the Interactions of Mixed Cationic/Anionic Collectors on Muscovite (001) Surface in Aqueous SolutionYuli Di0Ao Jiang1Haiyan Huang2Lin Deng3Dafu Zhang4Wenwei Deng5Rui Wang6Qian Luo7Shanhua Chen8College of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, ChinaCollege of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, ChinaSchool of Science, Xichang University, Xichang 615013, ChinaCollege of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, ChinaCollege of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, ChinaCollege of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, ChinaSchool of New Energy and Materials, Southwest Petroleum University, Chengdu 610500, ChinaSchool of Science, Xichang University, Xichang 615013, ChinaCollege of Materials and Chemistry & Chemical Engineering, Chengdu University of Technology, Chengdu 610059, ChinaIn this study, the adsorption mechanisms of dodecylamine hydrochloride(DDAHC), sodium dodecyl sulfate (SDS), sodium dodecyl benzene sulfonate(SDBS), and their mixed anionic/cationic collectors at ten different molar ratios on a muscovite (Mcv) surface in neutral aqueous solution were assessed by molecular dynamics simulations (MDS). According to the snapshot, interaction energy, radial distribution function (RDF), and density profile between the Mcv surface and collector molecules, the individual DDAHC collector was an effective collector for the flotation of Mcv. The molar ratio of anionic/cationic collectors was determined to be an essential factor in the flotation recovery of Mcv. The DDAHC collector was involved in the adsorption of the mixed anionic/cationic collectors on the Mcv (001) surface, whereas SDS and SDBS collectors were co-adsorbed with DDAHC. The mixed cationic/anionic collector showed the best adsorption on the Mcv surface in a molar ratio of 2. Additionally, SDBS, which has one more benzene ring than SDS, was more likely to form spherical micelles with DDAHC, thus resulting in better adsorption on the Mcv surface. The results of micro-flotation experiments indicated that the DDAHC collector could improve the flotation recovery of Mcv in neutral aqueous solution, which was in agreement with MDS-derived findings. In conclusion, DDAHC alone is the optimum collector for Mcv flotation under the neutral aqueous conditions, while the mixture of DDAHC and SDBS collectors (molar ratio = 2:1) exhibits the similar flotation performance.https://www.mdpi.com/1996-1944/15/11/3816molecular dynamics simulationmixed cationic and anionic collectorsmuscovitemineral flotation |
| spellingShingle | Yuli Di Ao Jiang Haiyan Huang Lin Deng Dafu Zhang Wenwei Deng Rui Wang Qian Luo Shanhua Chen Molecular Dynamics Simulation Study on the Interactions of Mixed Cationic/Anionic Collectors on Muscovite (001) Surface in Aqueous Solution Materials molecular dynamics simulation mixed cationic and anionic collectors muscovite mineral flotation |
| title | Molecular Dynamics Simulation Study on the Interactions of Mixed Cationic/Anionic Collectors on Muscovite (001) Surface in Aqueous Solution |
| title_full | Molecular Dynamics Simulation Study on the Interactions of Mixed Cationic/Anionic Collectors on Muscovite (001) Surface in Aqueous Solution |
| title_fullStr | Molecular Dynamics Simulation Study on the Interactions of Mixed Cationic/Anionic Collectors on Muscovite (001) Surface in Aqueous Solution |
| title_full_unstemmed | Molecular Dynamics Simulation Study on the Interactions of Mixed Cationic/Anionic Collectors on Muscovite (001) Surface in Aqueous Solution |
| title_short | Molecular Dynamics Simulation Study on the Interactions of Mixed Cationic/Anionic Collectors on Muscovite (001) Surface in Aqueous Solution |
| title_sort | molecular dynamics simulation study on the interactions of mixed cationic anionic collectors on muscovite 001 surface in aqueous solution |
| topic | molecular dynamics simulation mixed cationic and anionic collectors muscovite mineral flotation |
| url | https://www.mdpi.com/1996-1944/15/11/3816 |
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