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[1]林海飞,刘静波,严敏,等.CO2/CH4在煤储层中扩散规律的分子动力学模拟[J].中国安全生产科学技术,2017,13(1):84-89.[doi:10.11731/j.issn.1673-193x.2017.01.014]
　LIN Haifei,LIU Jingbo,YAN Min,et al.Molecular dynamics simulation on diffusion rules of CO2/CH4 in coal reservoir[J].JOURNAL OF SAFETY SCIENCE AND TECHNOLOGY,2017,13(1):84-89.[doi:10.11731/j.issn.1673-193x.2017.01.014]
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CO2/CH4在煤储层中扩散规律的分子动力学模拟
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《中国安全生产科学技术》[ISSN:1673-193X/CN:11-5335/TB]

卷:
13
期数:
2017年1期
页码:
84-89
栏目:
现代职业安全卫生管理与技术
出版日期:
2017-01-31

文章信息/Info

Title:
Molecular dynamics simulation on diffusion rules of CO2/CH4 in coal reservoir
文章编号:
1673-193X(2017)-01-0084-06
作者:
林海飞1; 2; 刘静波1; 严敏1; 2; 白杨1; 刘宝莉1
1. 西安科技大学 安全科学与工程学院，陕西 西安 710054；2. 教育部西部矿井开采及灾害防治重点实验室，陕西 西安 710054
Author(s):
LIN Haifei1; 2;  LIU Jingbo1;  YAN Min1; 2;  BAI Yang1;  LIU Baoli1
1. School of Safety Science and Engineering, Xi’an University of Science & Technology, Xi’an Shanxi 710054, China;2. Key Laboratory of Western Mine Exploitation and Hazard Prevention of the Ministry of Education, Xi’an Shanxi 710054, China
关键词:
分子动力学; 石墨狭缝; 甲烷; 安全工程; 扩散机理
Keywords:
molecular dynamics;  graphite slit;  methane;  safety engineering;  diffusion mechanism
分类号:
X936
DOI:
10.11731/j.issn.1673-193x.2017.01.014
文献标志码:
A
摘要:
为明确CO2与CH4混合气体在煤中的扩散规律，建立不同宽度的石墨狭缝结构模型代替复杂的煤结构，运用分子动力学方法，研究CO2与CH4浓度比、温度、气体压力和储层孔径等因素对甲烷扩散性能的影响。研究结果表明：随着CO2浓度的增大，甲烷的扩散系数降低；随着气体压力的增大，甲烷的扩散能力以及扩散系数均有明显的降低，但降低速率趋于平缓；较高的温度有助于甲烷的扩散，但作用效果并不明显；随着储层孔径的增大，甲烷的扩散系数越大。扩散系数与孔径呈现对数函数关系，与压力、CO2浓度和温度呈指数函数关系。出现上述结果的主要原因是CH4和CO2的竞争吸附，以及甲烷分子和狭缝表面之间范德华力的不同造成的。
Abstract:
In order to characterize the diffusion rules of CO2/CH4 gas mixture in coal, a structure model of graphite slit with different widths was established to replace the complex coal structure. The molecular dynamics method was applied to study the influence of CO2/CH4 concentration ratio, temperature, gas pressure, reservoir bore diameter and other factors on the diffusion performance of methane. The results showed that the diffusion coefficient of methane decreases with the increase of carbon dioxide concentration, and both the diffusion ability and diffusion coefficient of methane decrease obviously with the increase of gas pressure, but the decreasing rates tend to be stable. The higher temperature contributes to the diffusion of methane, but the action effect is not obvious. The diffusion coefficient of methane increases with the increase of reservoir bore diameter. The diffusion coefficient presents a logarithmic function relationship with the bore diameter, while the exponential function relationship with the pressure, carbon dioxide concentration and temperature. The primary causes of the above results are the competitive adsorption of carbon dioxide and methane, and the different Van d

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备注/Memo

备注/Memo:
国家自然科学基金项目（51174157，51104118）;陕西省青年科技新星专项项目（2014KJXX69）;陕西省教育厅专项科研项目（16JK1514）
更新日期/Last Update: 2017-03-02