石墨狭缝中异形孔洞内甲烷赋存状态分子动力学模拟
发布时间：2018-08-31 15:57
【摘要】：页岩气主要以吸附、游离和溶解的方式存在于页岩中,而页岩中有机质孔隙结构的多样性又使得页岩气的赋存状态存在具体的差异,同时也受到地质条件的影响。利用Materials Studio软件构建代表有机质的石墨孔隙模型,在石墨层中建立两种带有异型孔洞(矩形和三角形)的狭缝。在345 K,38 MPa的特定温压条件下,采用分子动力学方法研究狭缝内甲烷吸附状态和吸附密度。模拟发现在矩形孔洞最底部甲烷的密度值可达0.599 g/cm3,在三角孔洞底部顶角位置密度值可达0.456 g/cm3,均超出或接近液化甲烷密度。同时发现在孔洞内的甲烷径向分布函数值远大于狭缝界面处的值。最后将现场采集的含气页岩样本进行扫描电镜成像,识别有机质孔隙边界,依据模拟结果,确定第1层和第2层吸附边界,并赋予模拟结果计算出的密度值,最终计算出所研究层位页岩有机质内甲烷储集能力和可能含气量。
[Abstract]:Shale gas mainly exists in shale by adsorption, dissociation and dissolution, and the diversity of pore structure of organic matter in shale makes the occurrence state of shale gas different and affected by geological conditions. A graphite pore model representing organic matter was constructed by using Materials Studio software. Two slits with irregular pores (rectangle and triangle) were established in graphite layer. The adsorption state and density of methane in the slit were studied by molecular dynamics method under the specific temperature and pressure conditions of 345K ~ (38) MPa. The simulation results show that the density of methane at the bottom of the rectangular cavity can reach 0.599 g / cm ~ (3), and the density at the top angle of the triangle hole can reach 0.456 g / cm ~ (3), which is above or close to the density of liquefied methane. It is also found that the radial distribution function of methane in the pore is much larger than the value at the slit interface. Finally, the gas shale samples collected in the field are imaged by scanning electron microscope, and the pore boundaries of organic matter are identified. According to the simulation results, the adsorption boundaries of the first and second layers are determined, and the density values calculated by the simulation results are given. Finally, the methane storage capacity and possible gas content in organic matter of shale are calculated.
【作者单位】： 东北石油大学电子科学学院;中国石油大学(北京)非常规天然气研究院;东北石油大学地球科学学院;东北石油大学学报编辑部;吉林大学超硬材料国家重点实验室;吉林大学原子与分子物理研究所;
【基金】：国家自然科学基金资助项目(51274068,41472112) 黑龙江省自然科学基金资助项目(D2015010)
【分类号】：P618.13
本文编号：2215470
[Abstract]:Shale gas mainly exists in shale by adsorption, dissociation and dissolution, and the diversity of pore structure of organic matter in shale makes the occurrence state of shale gas different and affected by geological conditions. A graphite pore model representing organic matter was constructed by using Materials Studio software. Two slits with irregular pores (rectangle and triangle) were established in graphite layer. The adsorption state and density of methane in the slit were studied by molecular dynamics method under the specific temperature and pressure conditions of 345K ~ (38) MPa. The simulation results show that the density of methane at the bottom of the rectangular cavity can reach 0.599 g / cm ~ (3), and the density at the top angle of the triangle hole can reach 0.456 g / cm ~ (3), which is above or close to the density of liquefied methane. It is also found that the radial distribution function of methane in the pore is much larger than the value at the slit interface. Finally, the gas shale samples collected in the field are imaged by scanning electron microscope, and the pore boundaries of organic matter are identified. According to the simulation results, the adsorption boundaries of the first and second layers are determined, and the density values calculated by the simulation results are given. Finally, the methane storage capacity and possible gas content in organic matter of shale are calculated.
【作者单位】： 东北石油大学电子科学学院;中国石油大学(北京)非常规天然气研究院;东北石油大学地球科学学院;东北石油大学学报编辑部;吉林大学超硬材料国家重点实验室;吉林大学原子与分子物理研究所;
【基金】：国家自然科学基金资助项目(51274068,41472112) 黑龙江省自然科学基金资助项目(D2015010)
【分类号】：P618.13
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