[HTML][HTML] Insight into mineral flotation fundamentals through the DFT method

W Cui, J Chen - International Journal of Mining Science and …, 2021 - Elsevier
Flotation is a complex process that occurs in solid–liquid-gas multiphase systems, and its
main factors include the minerals, separation medium, as well as various flotation reagents …

Contribution of DFT to the optimization of Ni-based catalysts for dry reforming of methane: a review

O Alioui, M Badawi, A Erto, MA Amin, V Tirth… - Catalysis …, 2023 - Taylor & Francis
ABSTRACT In recent years, Density Functional Theory (DFT) simulations have been utilized
to gain insight into the Dry Reforming of Methane (DRM) process. It enables new and …

The interaction of flotation reagents with metal ions in mineral surfaces: A perspective from coordination chemistry

J Chen - Minerals Engineering, 2021 - Elsevier
The selective interaction between reagents and mineral surfaces is the core basis of mineral
flotation separation. This paper creatively proposes a perspective from coordination …

Preparation of cinnamic hydroxamic acid collector and study on flotation characteristics and mechanism of scheelite

X Yao, X Yu, L Wang, Y Zeng, L Mao, S Liu… - International Journal of …, 2023 - Elsevier
In this paper, using methyl cinnamate as raw material, the new cinnamic hydroxamic acid
collector (CIHA) was synthesized by the hydroxylamine method. The collector performance …

Orbital symmetry matching study on the interactions of flotation reagents with mineral surfaces

J Chen, Y Li - Minerals Engineering, 2022 - Elsevier
The selectivity of reagents to minerals is extraordinarily important in flotation. However, the
selective mechanism of reagents for minerals has not been completely clarified. Similar to …

Molecular insights on the adsorption of some pharmaceutical residues from wastewater on kaolinite surfaces

JW Hounfodji, WG Kanhounnon, G Kpotin… - Chemical Engineering …, 2021 - Elsevier
Non-negligible concentrations of chemicals products are often contained in worldwide
wastewaters. Although they can be eco-toxic, they are generally poorly removed in water …

Adsorption mechanisms of fatty acids on fluorite unraveled by infrared spectroscopy and first-principles calculations

Y Foucaud, J Lainé, LO Filippov, O Barrès… - Journal of Colloid and …, 2021 - Elsevier
Hypothesis The adsorption mechanisms of fatty acids on minerals are largely debated from
years, and their understanding is now required to improve flotation processing in the critical …

Application of a new self-consistent-charge density-functional tight-binding (SCC-DFTB) parameter set for simulating the adsorption of flotation reagents on the surface …

Y Zhang, J Chen, Y Li, C Zhao, Y Chen - Minerals Engineering, 2024 - Elsevier
To more effectively describe the adsorption behavior between typical lead minerals and
flotation reagents, a parameterization method based on self-consistent-charge density …

Flotation separation of molybdenite from chalcopyrite using rhodanine-3-acetic acid as a novel and effective depressant

C Wang, R Liu, M Wu, Z Xu, M Tian, Z Yin, W Sun… - Minerals …, 2021 - Elsevier
The selective separation of molybdenite from chalcopyrite is difficult because of their similar
floatability in the presence of a collector. In this study, rhodanine-3-acetic acid (3-Rd) was …

Effects of surface spatial structures and electronic properties of chalcopyrite and pyrite on Z-200 selectivity

J Chen, J Wang, Y Li, M Liu, Y Liu, C Zhao, W Cui - Minerals Engineering, 2021 - Elsevier
Chalcopyrite (CuFeS 2) is one of the main copper minerals, and is always found associated
with pyrite (FeS 2). To obtain a satisfactory Cu concentration, the undesirable pyrite …