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页岩中黏土矿物对CH4吸附的分子模拟
Molecular Simulation of CH4 Adsorption by Clay Minerals in Shale
【摘要】 为了探究页岩储层中3种黏土矿物对CH4的吸附机理,运用Materials Studio软件分别对3种黏土矿物进行蒙特卡洛模拟。模拟结果表明:在相同温度和压力条件下3种黏土矿物对CH4的吸附量大小顺序是蒙脱石>伊蒙混层>伊利石;吸附量随埋深的増加先增大后减小,且在3 km时达到最高;3种黏土矿物的吸附热均小于42 k J/mol,对CH4的吸附为物理吸附。
【Abstract】 In order to explore the adsorption mechanism of CH4 in three kinds of clay minerals under shale reservoirs, Monte Carlo simulation for three kinds of clay minerals is carried out by using Materials Studio simulation software.The simulation results show that the order of adsorption of three kinds of clay minerals in the same temperature and pressure is montmorillonite >I/S mixed-layer> illite.The adsorbed amount tends to increases then decreases with the increase of buried depth, and reaches the maximum value at 3 km. The adsorption heat of three kinds of clay minerals is less than 42 k J/mol,so the adsorption of CH4 is physical.
【Key words】 molecular simulation; clay minerals; CH4; adsorption behavior;
- 【文献出处】 煤炭技术 ,Coal Technology , 编辑部邮箱 ,2018年07期
- 【分类号】P574;P618.13
- 【下载频次】287