甲运输对孔隙信息学的依赖性 在无形纳米孔隙基因基质矩阵中
Wenhui Li1, Yiling Nan1, Zhehui Jin1
1School of Mining and Petroleum Engineering, Department of Civil and Environmental Engineering, University of Alberta, Edmonton AB T6G 1H9, Canada.
Langmuir : the ACS journal of surfaces and colloids
|December 21, 2023
概括
分子动力学模拟显示,二氧化中的甲运输严重取决于孔隙连接性. 了解连接的孔隙对于精确的流体运输评估和页岩气开发至关重要.
科学领域:
- 地质化学和石油科学 石油科学
- 计算材料科学科学 计算材料科学
- 化学工程是化学工程的重要组成部分.
背景情况:
- 煤化物中的流体运输主要是扩散驱动的,但它与孔隙特征的关系尚不清楚.
- 实验确定孔隙信息学对素流体运输的影响是具有挑战性的.
研究的目的:
- 通过分子动力学模拟,研究无形煤中的甲运输行为.
- 描述孔隙性质,如连接性和扭曲性对甲扩散的影响.
主要方法:
- 用分子动力学模拟来模拟在煤基质矩阵中的甲运输.
- 关键的孔隙特性 (孔隙性,连接性,大小,曲性) 被量化.
- 自扩散系数 (有效和总) 根据自由体积理论计算.
主要成果:
- 有效和总的自我扩散系数都随着甲负荷的增加而呈指数级下降.
- 当孔隙连接性较低时,运输估计会出现差异,这凸显了连接的孔隙的重要性.
- 有效的扩散系数与毛孔大小和扭曲度相关,特别是随着 (毛孔大小/扭曲度) ^2.2.增加.
结论:
- 精确的评估流体运输在煤化物中需要考虑连接的毛孔,因为不连接的毛孔不会有助于实际的运输.
- 该研究提供了对煤化孔信息学及其对甲运输的影响的关键见解,这对页岩气勘探和开发至关重要.
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