研究聚氧乙烯的分子机制,以防止煤炭和岩石和天然气复合物的动态灾害
Xuyang Bai1, Junwen Zhang2, HaiXiang Guo3
1School of Energy and Mining Engineering, China University of Mining and Technology (Beijing), Beijing, 100083, China.
Scientific reports
|February 9, 2025
概括
聚氧乙烯 (PEO) 可以通过竞争性吸附甲来减轻煤炭岩气灾害,从而削弱煤炭.
科学领域:
- 采矿工程 采矿工程 采矿工程
- 材料科学 材料科学 材料科学
- 计算化学的计算化学
背景情况:
- 深层煤矿采矿面临着严重的煤石气动态灾害.
- 现有的能量吸收材料在经济性,效率和机械理解方面存在局限性.
研究的目的:
- 通过分子模拟,研究聚氧乙烯 (PEO) 防止煤石气动态灾害的潜力.
- 阐明PEO与煤炭和甲相互作用的微观机制.
主要方法:
- 分子动力学 (MD) 模拟.分子动力学 (MD) 模拟.
- 计算的吸附能量,平均平方位移 (MSD),辐射分布函数 (RDF) 和可访问的表面积 (CSA).
- 进行了单轴压缩模拟.
主要成果:
- 在煤炭上,PEO的吸附性比甲更强,形成了具有竞争力的吸附层.
- PEO削弱了煤炭对甲的吸附能力,有效地隔离了气体.
- PEO增强了煤炭的压缩性能和能量吸收.
结论:
- 通过隔离甲,PEO可以有效地防止煤炭和天然气爆发.
- PEO提高了煤炭的机械性能,并充当了能量吸收器.
- PEO显示可行性作为一个辅助材料,以减轻深层煤矿的动态灾害.
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