A machine learning feature descriptor approach: Revealing potential adsorption mechanisms for SF6 decomposition product gas-sensitive materials

Journal of Hazardous Materials, Journal Year: 2024, Volume and Issue: 481, P. 136567 - 136567

Published: Nov. 19, 2024

Language: Английский

Activation Mechanism of Fe2+ in Pyrrhotite Flotation: Microflotation and DFT Calculations

Molecules, Journal Year: 2024, Volume and Issue: 29(7), P. 1490 - 1490

Published: March 27, 2024

In industrial manufacturing, pyrrhotite(Fe1−xS), once depressed, is commonly activated for flotation. However, the replacement of CuSO4 necessary due to need exact control over dosage during activation pyrrhotite, which can pose challenges in settings. This research introduces use FeSO4 first time efficiently activate pyrrhotite. The impact two different activators on pyrrhotite was examined through microflotation experiments and density functional theory (DFT) calculations. Microflotation confirmed that as increased from 0 8 × 10−4 mol/L, recovery initially slightly 71.27% 87.65% but then sharply decreased 16.47%. Conversely, when pyrrhotite’s rose 82.37%. These results indicate a higher sensitivity variations, suggesting minor alterations significantly its efficacy under certain experimental conditions. contrast, might demonstrate reduced changes dosage, leading more consistent performance. Fe ions chemically adsorb onto surface (001), creating stable chemical bond, thereby markedly activating addition butyl xanthate (BX), coupled with action Fe2+ formation four Fe-S bonds Fe2+. proximity their atomic distances contributes development double-chelate structure. S 3p orbital BX hybridizes 3d hybrid effect stronger than nonactivation. addition, bond formed by has Mulliken population, charge overlap, covalent bonds. Therefore, an excellent, efficient, activator.

Language: Английский

The new fate of MCLR revealed by dialysis equilibrium and theoretical calculations: Influence from DOM and Fe(II)/Mn(II)

Journal of environmental chemical engineering, Journal Year: 2024, Volume and Issue: 12(6), P. 114671 - 114671

Published: Nov. 4, 2024

Language: Английский