Quantum chemistry assisted screening of zircon flotation collectors

Gao, Zhiyong; Wang, Qiuhao; Wu, Yunxia; He, Jianyong

doi:10.1016/j.mineng.2022.107892

Cited by 11 publications

(1 citation statement)

References 12 publications

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“…Gao et al [189] employed the ethyl-functional group (EFG) database to compute reaction-free energies of solidophilic groups with possible metal hydroxide ions as the primary indicator for screening zircon flotation collectors. Both the practical and theoretical results confirmed that the performance of the screened zircon flotation reagents (n-octyl phosphoric acid (nOPA) and octyl hydroxamic acid (OHA)) is much better than that of octanoic acid, indicating that employing quantum chemistry to assist the screening and molecular design of flotation reagents is feasible and meaningful.…”

Section: Other Silicate Mineralsmentioning

confidence: 99%

Application of Quantum Chemistry in the Study of Flotation Reagents

Tang,

Chen,

Chen

et al. 2023

Minerals

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Flotation reagents are significant for modifying the interfacial characteristics of mineral grains to achieve the effective separation of minerals. Since the 1960s, when quantum chemistry was first introduced into the study of flotation reagents, many achievements have been made, although some controversial topics remain. The application of quantum chemistry in the research of flotation reagents for the separation of various minerals in the past decade is herein comprehensively and systematically reviewed. The main directions and gaps of current research are pointed out, the theoretical basis for the design and development of novel flotation reagents is summarized, and more importantly, the potential for the targeting design and development of efficient, selective, and environmentally friendly flotation reagent molecules by means of quantum chemistry is explored.

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Section: Other Silicate Mineralsmentioning

confidence: 99%