赵庄3^#煤层与成庄3#煤层中甲烷扩散特性的分子模拟
张凯飞，谢志敏
（山西能源学院，山西 晋中 030600）
摘要： 针对赵庄矿与成庄矿煤层气产量差异显著的问题，采用分子动力学方法研究了赵庄3^#煤层和成庄3^#煤层中甲
烷的扩散特性，并计算了赵庄3^#煤层和成庄3^#煤层中甲烷的扩散系数与扩散活化能。结果表明：温度越高，煤中甲烷的
扩散效果越好；相比于赵庄3^#煤层，成庄3^#煤层中甲烷的扩散系数更高，扩散效果更好；通过康纳利测定，得知成庄3^#
煤层的孔隙度更高，约为赵庄3^#煤层的1.2 倍，这是它扩散效果更好的一个重要原因；甲烷在赵庄3^#煤层中所需的扩散
活化能比成庄3^#煤层更高，其扩散更加困难。
关键词： 甲烷；温度；扩散；赵庄3^#煤层；成庄3^#煤层
中图分类号： TD712     文献标志码： A     文章编号： 2095-0802-(2023)04-0030-04
Molecular Simulation of Diffusion Properties for Methane in Zhaozhuang 3^# Coal Seam and
Chengzhuang 3^# Coal Seam
ZHANG Kaifei, XIE Zhimin
(Shanxi Institute of Energy, Jinzhong 030600, Shanxi, China)
Abstract: Aiming at the significant difference in CBM production between Zhaozhuang Coal Mine and Chengzhuang Coal Mine,
this paper studied the diffusion characteristics of the methane in Zhaozhuang 3^# coal seam and Chengzhuang 3^# coal seam by
molecular dynamics (MD) method, and calculated the diffusion coefficient and diffusion activation energy of the methane in
Zhaozhuang 3^# coal seam and Chengzhuang 3^# coal seam. The results show that the diffusion effect of methane is better with
increasing temperature; compared with Zhaozhuang 3^# coal seam, the diffusion coefficient of the methane in Chengzhuang 3^# coal
seam is higher and the diffusion effect is better; according to Connolly measurement, the porosity of Chengzhuang 3^# coal seam is
higher, about 1.2 times that of Zhaozhuang 3^# coal seam, which is an important reason for its better diffusion effect; the diffusion
activation energy required for the methane in Zhaozhuang 3^# coal seam is higher than that of Chengzhuang 3^# coal seam, and its
diffusion is more difficult.

Key words: methane; temperature; diffusion; Zhaozhuang 3^# coal seam; Chengzhuang 3^# coal seam