通过阴离子和离子表面活性剂调节煤炭浸透性的效果和机制研究:来自实验和分子模拟的见解
Houfu Luo1, Ying Huang2, Litao Ma2
1School of Chemistry and Chemical Engineering, Southwest Petroleum University, Chengdu 610500, China.
Langmuir : the ACS journal of surfaces and colloids
|March 6, 2026
概括
这项研究调查了甲 (CTAB) 和3-甲甲甲 (SPHB) 表面活性剂如何改变煤炭的湿透性. 这两种表面活性剂都是湿煤巨孔和中孔,CTAB的动力学比SPHB更快.
科学领域:
- 表面化学 表面化学
- 材料科学是一种材料科学.
- 物理化学 物理化学
背景情况:
- 表面活性剂对于修改表面张力和煤炭湿透性至关重要.
- 了解表面活性剂与煤炭的相互作用对于优化煤炭利用至关重要.
研究的目的:
- 为了研究CTAB和SPHB表面活性剂与煤炭之间的湿相互作用.
- 阐明这些表面活性剂对煤的湿透性调节的宏观和微观机制.
主要方法:
- 宏观实验和微观分子动力学 (MD) 模拟.
- 低场核磁共振 (LF-NMR) 用于评估调节效应 (T2,Ma,T2g).
- 扫描电子显微镜 (SEM),泽塔电位,X射线光电子光谱 (XPS) 和富里埃变换红外光谱 (FTIR) 用于表征.
主要成果:
- CTAB和SPHB有效地湿煤的巨孔和中孔,对微孔的影响最小.
- 与SPHB相比,CTAB表现出更快的动力反应 (dakdak) = 8.33) 和SPHB (dakdak) = 2.44).
- MD模拟显示,SPHB在煤炭上比CTAB更稳定,具有不同的相互作用配置和模型 (CTAB的单分子桥梁水与SPHB的半细胞桥梁水).
结论:
- 无论是CTAB还是SPHB都能调节煤炭的湿透性,主要影响较大的孔隙.
- 相互作用机制不同,SPHB表现出比CTAB更大的稳定性和不同的湿化模式.
- 这项研究为表面活性剂与煤炭的相互作用提供了全面的见解,这对煤炭行业的应用非常重要.
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