Study on flotation and molecular simulation of gasification fine slag enhanced by compound collector

ABSTRACT

Aiming at the problem that coal gasification fine slag is difficult to float effectively, this paper combines flotation experiments and molecular simulation methods to study the mechanism of composite collectors on the flotation performance of gasification fine slag. In the aspect of molecular simulation, the quantum chemical characteristics of collector molecules and coal molecules in gasification fine slag were studied by density functional theory (DFT) calculation, and the electrostatic potential and frontier orbitals were calculated. Then, the flotation behavior of composite collectors in gasification fine slag was simulated by molecular dynamics. It was found that dodecane and dodecylamine had the best flotation effect as collectors. Finally, the flotation experiment verified that the recovery rate and other related indexes of gasification fine slag were better when dodecane and dodecylamine were used as collectors.

KEYWORDS:

• Coal gasification fine slag
• flotation
• compound collector
• DFT calculation
• MD simulation

Disclosure Statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by the Natural Science Basic Research Program of Shaanxi [No.2019JLM-12].