脂肪酸不和对低级煤水界面的分子间弱相互作用的影响:密度函数理论计算和实验研究
Zechen Liu1,2, Xianshu Dong1, Yinfei Liao2
1School of Mining Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, PR China.
ACS omega
|May 20, 2024
概括
脂肪酸和影响低级煤漂浮. 不和脂肪酸,如不乙烯酸 (UA) 和烯酸 (PA) 强烈与水相互作用,与和酸 (DA) 相比,削弱它们作为收集器的有效性.
科学领域:
- 矿物加工 矿物加工
- 表面化学 表面化学
- 计算化学计算化学
背景情况:
- 漂浮对于矿物回收至关重要,但脂肪酸和在低级煤 (LRC) 漂浮中的作用仍未得到充分研究.
- 了解界面交互是优化浮动收集器性能的关键.
研究的目的:
- 为了研究脂肪酸和对低级煤炭-水接口的分子间相互作用的影响.
- 阐明混合采集器的机制,由多德干和脂肪酸 (二甲酸,无烯酸,烯酸) 组成,具有不同和度.
主要方法:
- 密度函数理论 (DFT) 的计算被用来建模界面相互作用.
- 泽塔电位测量评估了表面电荷特征.
- 福利埃变换红外光谱学 (FTIR) 分析了分子相互作用和功能组.
主要成果:
- 与和DA.相比,不和脂肪酸 (UA,PA) 与LRC碎片和水具有更强的键和静电相互作用.
- UA/PA增强了与水分子的相互作用,PA显示出优先相互作用.
- 混合采集器和LRC之间的结的强度按照D-DA>D-UA>D-PA的顺序进行.
- 不和键对LRC疏水部位吸附的影响最小.
结论:
- 不和脂肪酸 (UA,PA) 与水分子的强烈相互作用降低了它们作为LRC浮动收集器的有效性.
- DFT,FTIR和Zeta潜力分析证实,与水的相互作用增加会削弱LRC的混合收集器性能.
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