【摘要】：頁巖氣主要以吸附、游離和溶解的方式存在于頁巖中,而頁巖中有機(jī)質(zhì)孔隙結(jié)構(gòu)的多樣性又使得頁巖氣的賦存狀態(tài)存在具體的差異,同時(shí)也受到地質(zhì)條件的影響。利用Materials Studio軟件構(gòu)建代表有機(jī)質(zhì)的石墨孔隙模型,在石墨層中建立兩種帶有異型孔洞(矩形和三角形)的狹縫。在345 K,38 MPa的特定溫壓條件下,采用分子動力學(xué)方法研究狹縫內(nèi)甲烷吸附狀態(tài)和吸附密度。模擬發(fā)現(xiàn)在矩形孔洞最底部甲烷的密度值可達(dá)0.599 g/cm3,在三角孔洞底部頂角位置密度值可達(dá)0.456 g/cm3,均超出或接近液化甲烷密度。同時(shí)發(fā)現(xiàn)在孔洞內(nèi)的甲烷徑向分布函數(shù)值遠(yuǎn)大于狹縫界面處的值。最后將現(xiàn)場采集的含氣頁巖樣本進(jìn)行掃描電鏡成像,識別有機(jī)質(zhì)孔隙邊界,依據(jù)模擬結(jié)果,確定第1層和第2層吸附邊界,并賦予模擬結(jié)果計(jì)算出的密度值,最終計(jì)算出所研究層位頁巖有機(jī)質(zhì)內(nèi)甲烷儲集能力和可能含氣量。
[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.
【作者單位】： 東北石油大學(xué)電子科學(xué)學(xué)院;中國石油大學(xué)(北京)非常規(guī)天然氣研究院;東北石油大學(xué)地球科學(xué)學(xué)院;東北石油大學(xué)學(xué)報(bào)編輯部;吉林大學(xué)超硬材料國家重點(diǎn)實(shí)驗(yàn)室;吉林大學(xué)原子與分子物理研究所;
【基金】：國家自然科學(xué)基金資助項(xiàng)目(51274068,41472112) 黑龍江省自然科學(xué)基金資助項(xiàng)目(D2015010)
【分類號】：P618.13

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