Complexation of Alkali and Alkaline-Earth Metal Cations at Spodumene-Saltwater Interfaces by Molecular Simulation: Impact on Oleate Adsorption
Spodumene, a lithium aluminum inosilicate, is recovered by froth flotation using surfactants, so-called collectors. Therefore, the behavior and properties of the water-mineral interface in saline solutions are central. Here, molecular dynamics simulations are used to study the adsorption of alkali a...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-12-01
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| Series: | Minerals |
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| Online Access: | https://www.mdpi.com/2075-163X/11/1/12 |
| _version_ | 1797543557629739008 |
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| author | Gonzalo R. Quezada Pedro G. Toledo |
| author_facet | Gonzalo R. Quezada Pedro G. Toledo |
| author_sort | Gonzalo R. Quezada |
| collection | DOAJ |
| description | Spodumene, a lithium aluminum inosilicate, is recovered by froth flotation using surfactants, so-called collectors. Therefore, the behavior and properties of the water-mineral interface in saline solutions are central. Here, molecular dynamics simulations are used to study the adsorption of alkali and alkaline-earth metal cations from concentrated solutions on the weakest (110) surface plane of negatively-charged spodumene. Results include the envelope density function of inner-sphere complexes for each cation and the density of complexes according to their adsorption contacts. Visualization of complexes for each cation is also included. Once the structure of the cation layers adsorbed on the surface of spodumene is defined, its role as a catalyst or barrier for adsorption of the spodumene collector in flotation is evaluated. The collector studied is the typical sodium oleate. The results show that oleate adsorption is poor and that the few adsorption contacts are mainly via cation bridges. The findings here indicate that molecular simulation can facilitate the search for effective collectors for environmentally sustainable spodumene flotation processes in saltwater. |
| first_indexed | 2024-03-10T13:47:18Z |
| format | Article |
| id | doaj.art-45136ee19edd415b95873568fd24d732 |
| institution | Directory Open Access Journal |
| issn | 2075-163X |
| language | English |
| last_indexed | 2024-03-10T13:47:18Z |
| publishDate | 2020-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Minerals |
| spelling | doaj.art-45136ee19edd415b95873568fd24d7322023-11-21T02:30:18ZengMDPI AGMinerals2075-163X2020-12-011111210.3390/min11010012Complexation of Alkali and Alkaline-Earth Metal Cations at Spodumene-Saltwater Interfaces by Molecular Simulation: Impact on Oleate AdsorptionGonzalo R. Quezada0Pedro G. Toledo1Water Research Center for Agriculture and Mining (CRHIAM), University of Concepción, Victoria 1295, Concepción 4030000, ChileDepartment of Chemical Engineering and Laboratory of Surface Analysis (ASIF), University of Concepción, PO Box 160-C, Correo 3, Concepción 4030000, ChileSpodumene, a lithium aluminum inosilicate, is recovered by froth flotation using surfactants, so-called collectors. Therefore, the behavior and properties of the water-mineral interface in saline solutions are central. Here, molecular dynamics simulations are used to study the adsorption of alkali and alkaline-earth metal cations from concentrated solutions on the weakest (110) surface plane of negatively-charged spodumene. Results include the envelope density function of inner-sphere complexes for each cation and the density of complexes according to their adsorption contacts. Visualization of complexes for each cation is also included. Once the structure of the cation layers adsorbed on the surface of spodumene is defined, its role as a catalyst or barrier for adsorption of the spodumene collector in flotation is evaluated. The collector studied is the typical sodium oleate. The results show that oleate adsorption is poor and that the few adsorption contacts are mainly via cation bridges. The findings here indicate that molecular simulation can facilitate the search for effective collectors for environmentally sustainable spodumene flotation processes in saltwater.https://www.mdpi.com/2075-163X/11/1/12inner-sphere complexescation bridgesspodumenemolecular dynamicssodium oleate |
| spellingShingle | Gonzalo R. Quezada Pedro G. Toledo Complexation of Alkali and Alkaline-Earth Metal Cations at Spodumene-Saltwater Interfaces by Molecular Simulation: Impact on Oleate Adsorption Minerals inner-sphere complexes cation bridges spodumene molecular dynamics sodium oleate |
| title | Complexation of Alkali and Alkaline-Earth Metal Cations at Spodumene-Saltwater Interfaces by Molecular Simulation: Impact on Oleate Adsorption |
| title_full | Complexation of Alkali and Alkaline-Earth Metal Cations at Spodumene-Saltwater Interfaces by Molecular Simulation: Impact on Oleate Adsorption |
| title_fullStr | Complexation of Alkali and Alkaline-Earth Metal Cations at Spodumene-Saltwater Interfaces by Molecular Simulation: Impact on Oleate Adsorption |
| title_full_unstemmed | Complexation of Alkali and Alkaline-Earth Metal Cations at Spodumene-Saltwater Interfaces by Molecular Simulation: Impact on Oleate Adsorption |
| title_short | Complexation of Alkali and Alkaline-Earth Metal Cations at Spodumene-Saltwater Interfaces by Molecular Simulation: Impact on Oleate Adsorption |
| title_sort | complexation of alkali and alkaline earth metal cations at spodumene saltwater interfaces by molecular simulation impact on oleate adsorption |
| topic | inner-sphere complexes cation bridges spodumene molecular dynamics sodium oleate |
| url | https://www.mdpi.com/2075-163X/11/1/12 |
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