来自石墨烯页岩储纳米通道的甲吸附和移位的分子动力学模拟
Maryam Hajianzadeh1, Jafar Mahmoudi2, Sadegh Sadeghzadeh3
1School of Chemistry, Damghan University, Damghan, Iran.
Scientific reports
|September 22, 2023
概括
页岩气库中的甲吸附受孔径大小,压力和温度的影响. 分子动力学模拟揭示了CO2和N2如何取代甲,影响储备估计和提取效率.
科学领域:
- 地质化学 地质化学
- 石油工程是石油工程中的一个.
- 材料科学 材料科学 材料科学
背景情况:
- 页岩孔中的甲吸附对于页岩气储量估计和提取效率至关重要.
- 了解页岩纳米通道中的甲脱吸和位移对于资源评估至关重要.
研究的目的:
- 用分子动力学模拟来研究有机页岩孔中的甲吸附行为.
- 为了分析二氧化碳 (CO2) 和 (N2) 注入的甲的取代.
主要方法:
- 用分子动力学模拟来模拟基于石墨烯的页岩孔中的甲吸附.
- 这项研究研究了孔径大小,压力和温度对甲吸附的影响.
主要成果:
- 甲吸附量随着孔径的增加而减少,但随着压力的增加而增加.
- 较高的温度导致甲吸附率降低,这是Langmuir等热法所示.
- 二氧化碳通过填补空位和直接更换取代了甲,而二氧化吸附到空位,降低了甲的部分压力.
结论:
- 孔径大小,压力和温度显著影响页岩中的甲吸附.
- 二氧化碳和二氧化表现出不同的甲排放机制,为增强气体回收提供了见解.
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