Atomistic Simulations of the Reactivity of Acanthite Facets toward Cyanidation
| Autor: | Roxana Bernaola-Flores, Juan Carlos F. Rodríguez-Reyes, Perla B. Balbuena, Francisco Tarazona-Vasquez, Fernando A. Soto |
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| Rok vydání: | 2019 |
| Předmět: |
Aqueous solution
Gold cyanidation Cyanide Silver sulfide Inorganic chemistry Surfaces Coatings and Films Electronic Optical and Magnetic Materials Ab initio molecular dynamics Metal chemistry.chemical_compound General Energy chemistry visual_art visual_art.visual_art_medium Leaching (metallurgy) Physical and Theoretical Chemistry Acanthite |
| Zdroj: | The Journal of Physical Chemistry C. 123:11888-11898 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | Cyanidation (leaching with cyanide) is a common yet complex surface process in hydrometallurgical practice, and its effectiveness in extracting the metal of interest is often affected by the nature of the mineralogical species that are present. Little is known about surface processes on acanthite (a silver sulfide) and how its various facets respond to cyanidation in aqueous solution. Therefore, in this work, some properties of both bulk acanthite (Ag2S) and its (001), (022), and (121) surface facets have been studied by density-functional-theory (DFT)-based calculations to elucidate reactivity trends and competitive adsorption (initial stages in the surface process of cyanidation) between cyanide and other species present in the leaching liquor. It is found that CN– binds by its C-end to silver sites on the acanthite surface with adsorption energy similar to that of OH– but stronger than those of water and oxygen. Ab initio molecular dynamics (AIMD) simulation of cyanidation liquor over acanthite surfac... |
| Databáze: | OpenAIRE |
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