基于分子间相互作用的煤灰上的混合离子-非离子非同类表面活性剂的湿化和吸附机制的研究
Wen Nie1, Ruoxi Li1, Wenjin Niu1
1State Key Laboratory of Mining Disaster Prevention and Control Co-found By Shandong Province and the Ministry of Science and Technology, Shandong University of Science and Technology, Qingdao, 266590, China; College of Safety and Environmental Engineering, Shandong University of Science and Technology, Qingdao, 266590, Shandong Province, China.
Chemosphere
|May 27, 2023
概括
混合离子和非离子表面活性剂显著提高了煤尘的可湿性. 脂肪酒精聚氧乙烯硫酸盐 (AES) 和劳里尔葡萄糖化物 (APG) 的1: 5比率产生了高效的抑制尘埃,为煤炭尘埃控制提供了新的策略.
科学领域:
- 表面化学 表面化学
- 材料科学 材料科学 材料科学
- 环境工程 环境工程
背景情况:
- 煤灰在采矿业务中构成重大健康和安全风险.
- 有效的除尘对于改善工作条件和预防事故至关重要.
- 当前的防尘剂往往缺乏在煤炭表面的最佳湿性能.
研究的目的:
- 为了研究混合离子-非离子表面活性剂用于煤灰抑制的协同湿性能.
- 为了确定脂肪酒精聚氧乙烯硫酸盐 (AES) 和劳里尔葡萄糖化物 (APG) 的最佳比例,以提高湿透性.
- 阐明这些表面活性剂对煤炭水友性的协同作用背后的分子机制.
主要方法:
- 对各种表面活性剂混合物的协同作用参数的实验性确定.
- 分子动力学模拟用于模拟煤炭表面的湿过程.
- 计算静电电位,HOMO和LUMO等级以分析分子相互作用.
- 结合能量的计算,以了解结合相互作用.
主要成果:
- 1:5的AES-APG比率表现出最好的协同湿性能,创造了一个高度可湿的除尘剂.
- 分子动力学模拟揭示了由表面活性剂分子调节煤炭的水友性.
- AES-APG分子的间隔排列提高了湿效率.
- 协同作用机制涉及表面活性剂和水分子之间的增强结.
结论:
- 混合离子和非离子表面活性剂,特别是1: 5比例的AES-APG,为煤灰抑制提供了一种优越的方法.
- 这项研究为设计先进的,高度可湿的防尘剂提供了理论框架.
- 这些发现为开发煤炭行业更有效,更可持续的防尘策略铺平了道路.
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