Experimental and Simulation Studies on Hematite Interaction with Na-Metasilicate Pentahydrate
Iron ore is a fundamental pillar in construction globally, however, its process is highly polluting and deposits are becoming less concentrated, making reusing or reprocessing its sources a sustainable solution to the current industry. A rheological analysis was performed to understand the effect of...
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MDPI AG
2023-04-01
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| Series: | Molecules |
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| author | Gonzalo R. Quezada Norman Toro R. S. Krishna Subhabrata Mishra Pedro Robles Ivan Salazar Enoque Mathe Ricardo I. Jeldres |
| author_facet | Gonzalo R. Quezada Norman Toro R. S. Krishna Subhabrata Mishra Pedro Robles Ivan Salazar Enoque Mathe Ricardo I. Jeldres |
| author_sort | Gonzalo R. Quezada |
| collection | DOAJ |
| description | Iron ore is a fundamental pillar in construction globally, however, its process is highly polluting and deposits are becoming less concentrated, making reusing or reprocessing its sources a sustainable solution to the current industry. A rheological analysis was performed to understand the effect of sodium metasilicate on the flow curves of concentrated pulps. The study was carried out in an Anton Paar MCR 102 rheometer, showing that, in a wide range of dosages, the reagent can reduce the yield stress of the slurries, which would result in lower energy costs for transporting the pulps by pumping. To understand the behavior observed experimentally, computational simulation has been used by means of quantum calculations to represent the metasilicate molecule and the molecular dynamics to study the adsorption of metasilicate on the hematite surface. It has been possible to obtain that the adsorption is stable on the surface of hematite, where increasing the concentration of metasilicate increases its adsorption on the surface. The adsorption could be modeled by the Slips model where there is a delay in adsorption at low concentrations and then a saturated value is reached. It was found that metasilicate requires the presence of sodium ions to be adsorbed on the surface by means of a cation bridge-type interaction. It is also possible to identify that it is absorbed by means of hydrogen bridges, but to a lesser extent than the cation bridge. Finally, it is observed that the presence of metasilicate adsorbed on the surface modifies the net surface charge, increasing it and, thus, generating the effect of dispersion of hematite particles which experimentally is observed as a decrease in rheology. |
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| language | English |
| last_indexed | 2024-03-11T04:41:34Z |
| publishDate | 2023-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-7cad3d340a0c469999de998d0c8db2472023-11-17T20:41:45ZengMDPI AGMolecules1420-30492023-04-01288362910.3390/molecules28083629Experimental and Simulation Studies on Hematite Interaction with Na-Metasilicate PentahydrateGonzalo R. Quezada0Norman Toro1R. S. Krishna2Subhabrata Mishra3Pedro Robles4Ivan Salazar5Enoque Mathe6Ricardo I. Jeldres7Escuela de Ingeniería Química, Facultad de Ingeniería, Universidad del Bío-Bío, Concepción 4081112, ChileFaculty of Engineering and Architecture, Universidad Arturo Prat, Iquique 1100000, ChileIndian Institute of Technology Guwahati, Technology Innovation Hub, Guwahati 781039, IndiaCSIR—Institute of Minerals and Materials Technology, Bhubaneswar 750103, IndiaEscuela de Ingeniería Química, Pontificia Universidad Católica de Valparaíso, Valparaíso 2340000, ChileDepartment of Civil Engineering, Universidad Católica del Norte, Antofagasta 1270709, ChileDepartamento de Ingeniería Química y Procesos de Minerales, Facultad de Ingeniería, Universidad de Antofagasta, Antofagasta 1240000, ChileDepartamento de Ingeniería Química y Procesos de Minerales, Facultad de Ingeniería, Universidad de Antofagasta, Antofagasta 1240000, ChileIron ore is a fundamental pillar in construction globally, however, its process is highly polluting and deposits are becoming less concentrated, making reusing or reprocessing its sources a sustainable solution to the current industry. A rheological analysis was performed to understand the effect of sodium metasilicate on the flow curves of concentrated pulps. The study was carried out in an Anton Paar MCR 102 rheometer, showing that, in a wide range of dosages, the reagent can reduce the yield stress of the slurries, which would result in lower energy costs for transporting the pulps by pumping. To understand the behavior observed experimentally, computational simulation has been used by means of quantum calculations to represent the metasilicate molecule and the molecular dynamics to study the adsorption of metasilicate on the hematite surface. It has been possible to obtain that the adsorption is stable on the surface of hematite, where increasing the concentration of metasilicate increases its adsorption on the surface. The adsorption could be modeled by the Slips model where there is a delay in adsorption at low concentrations and then a saturated value is reached. It was found that metasilicate requires the presence of sodium ions to be adsorbed on the surface by means of a cation bridge-type interaction. It is also possible to identify that it is absorbed by means of hydrogen bridges, but to a lesser extent than the cation bridge. Finally, it is observed that the presence of metasilicate adsorbed on the surface modifies the net surface charge, increasing it and, thus, generating the effect of dispersion of hematite particles which experimentally is observed as a decrease in rheology.https://www.mdpi.com/1420-3049/28/8/3629hematitesodium metasilicaterheologymolecular dynamicsinteraction mechanisms |
| spellingShingle | Gonzalo R. Quezada Norman Toro R. S. Krishna Subhabrata Mishra Pedro Robles Ivan Salazar Enoque Mathe Ricardo I. Jeldres Experimental and Simulation Studies on Hematite Interaction with Na-Metasilicate Pentahydrate Molecules hematite sodium metasilicate rheology molecular dynamics interaction mechanisms |
| title | Experimental and Simulation Studies on Hematite Interaction with Na-Metasilicate Pentahydrate |
| title_full | Experimental and Simulation Studies on Hematite Interaction with Na-Metasilicate Pentahydrate |
| title_fullStr | Experimental and Simulation Studies on Hematite Interaction with Na-Metasilicate Pentahydrate |
| title_full_unstemmed | Experimental and Simulation Studies on Hematite Interaction with Na-Metasilicate Pentahydrate |
| title_short | Experimental and Simulation Studies on Hematite Interaction with Na-Metasilicate Pentahydrate |
| title_sort | experimental and simulation studies on hematite interaction with na metasilicate pentahydrate |
| topic | hematite sodium metasilicate rheology molecular dynamics interaction mechanisms |
| url | https://www.mdpi.com/1420-3049/28/8/3629 |
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