Research on the flotation efficiency of alcohol/ether alcohol frothers for common collectors: Insight of molecular dynamics simulations

Cheng, Yali; Min, Fanfei; Wang, Lujun; Shu, Qingdong

doi:10.1016/j.apsusc.2022.156233

Cited by 6 publications

(3 citation statements)

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“…The results suggested that while low concentrations of 2-octanol and ether frothers would promote synergism in both the spreading and adsorption of dodecane and frothers on the coal surface, the excessive frother concentration would not show a synergistic effect, thus deteriorating dodecane adsorption on the surface. 260 3.2. rational approach for the design and development of new, high-performance reagents for froth flotation. In recent years, the gradual depletion of easy-to-process ores has been accentuated in large part by the shift to mineral sources from complex and highly disseminated ore deposits.…”

Section: Structure−property Relationshipsmentioning

confidence: 99%

“…A mixture of dodecane/2-octanol and dodecane/ether alcohol reagents were tested by MD simulations for improved performance in coal flotation systems. The results suggested that while low concentrations of 2-octanol and ether frothers would promote synergism in both the spreading and adsorption of dodecane and frothers on the coal surface, the excessive frother concentration would not show a synergistic effect, thus deteriorating dodecane adsorption on the surface …”

Section: Applications Of Molecular Modeling To Froth Flotationmentioning

confidence: 99%

Section: Structure−property Relationshipsmentioning

confidence: 99%

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Emerging Trends of Computational Chemistry and Molecular Modeling in Froth Flotation: A Review

et al. 2023

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Froth flotation is the most versatile process in mineral beneficiation, extensively used to concentrate a wide range of minerals. This process comprises mixtures of more or less liberated minerals, water, air, and various chemical reagents, involving a series of intermingled multiphase physical and chemical phenomena in the aqueous environment. Today’s main challenge facing the froth flotation process is to gain atomic-level insights into the properties of its inherent phenomena governing the process performance. While it is often challenging to determine these phenomena via trial-and-error experimentations, molecular modeling approaches not only elicit a deeper understanding of froth flotation but can also assist experimental studies in saving time and budget. Thanks to the rapid development of computer science and advances in high-performance computing (HPC) infrastructures, theoretical/computational chemistry has now matured enough to successfully and gainfully apply to tackle the challenges of complex systems. In mineral processing, however, advanced applications of computational chemistry are increasingly gaining ground and demonstrating merit in addressing these challenges. Accordingly, this contribution aims to encourage mineral scientists, especially those interested in rational reagent design, to become familiarized with the necessary concepts of molecular modeling and to apply similar strategies when studying and tailoring properties at the molecular level. This review also strives to deliver the state-of-the-art integration and application of molecular modeling in froth flotation studies to assist either active researchers in this field to disclose new directions for future research or newcomers to the field to initiate innovative works.

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Section: Structure−property Relationshipsmentioning

confidence: 99%

Section: Applications Of Molecular Modeling To Froth Flotationmentioning

confidence: 99%

Section: Structure−property Relationshipsmentioning

confidence: 99%

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