对二进制表面活性剂对Wiser煤漂浮的影响进行了微观机制研究
Chun Zhang1,2, Xianju Qian1,2, Hailong Song3,4
1College of Safety Science and Engineering, Liaoning Technical University, Fuxin, 123000, Liaoning, China.
Scientific reports
|June 24, 2024
概括
六甲基三甲基氨基化物 (CTAB) 和脂肪醇乙氧化 (CTAE) 二元表面活性剂有效地增强了Wiser煤的疏水性. 这有助于改善煤炭的清洁和利用,减少废物和污染.
科学领域:
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
- 矿物加工 矿物加工
背景情况:
- 提高煤炭的清洁性和利用率对于资源效率至关重要.
- 表面活性剂与煤炭表面的相互作用是浮动过程的关键.
- 了解水性修饰的分子机制是必不可少的.
研究的目的:
- 调查阴离子,阴离子和非离子表面活性剂对威泽煤漂浮性的影响.
- 分析二元表面活性剂的电荷分布和疏水性修饰.
- 确定最佳的表面活性剂组合,以提高煤炭清洁效果.
主要方法:
- 使用密度函数理论 (DFT) 和分子动力学 (MD) 模拟.
- 为了研究表面活性剂相互作用,建立了Wiser煤模型.
- 分析了电荷分布,边界轨道能量和吸附力.
主要成果:
- 聚焦在能产生结的功能组上的最大静电电位.
- 六甲基三甲基氨基化物 (CTAB) 由于极小的边界轨道能量差异,表现出优越的捕获能力.
- CTAB表现出极好的反水性,吸附主要由静电力驱动.
结论:
- 脂肪酒精乙氧化 (CTAE) 二元表面活性剂在修改煤水性方面是最有效的.
- 该研究提供了关于减少煤炭加工中的废物,污染和资源浪费的见解.
- 优化表面活性剂的使用可以显著提高煤炭的清洁性和利用价值.
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