页岩中黏土矿物对CH_4吸附的分子模拟  

Molecular Simulation of CH_4 Adsorption by Clay Minerals in Shale

作　　者：孙淑昕 房晓红[1,2] 曾凡桂[1,3] SUN Shu-xin;FANG Xiao-hong;ZENG Fan-gui(Taiyuan University of Teehonlogy, Taiyuan 030024, China;Key Laboratory of Interface Science and Engineering in Advanced Materials, Ministry of Education, Taiyuan University of Teehonlogy, Taiyuan 030024, China;Key Laboratory of Geology of Coal and Coal Measure Gas, Shanxi Province, Taiyuan University of Techonlogy, Taiyuan 030024, China)

机构地区：[1]太原理工大学,太原030024 [2]太原理工大学新材料界面科学与工程教育部重点实验室,太原030024 [3]太原理工大学煤与煤系气地质山西省重点实验室,太原030024

出　　处：《煤炭技术》2018年第7期131-133,共3页Coal Technology

摘　　要：为了探究页岩储层中3种黏土矿物对CH_4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CH_4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CH_4的吸附为物理吸附。In order to explore the adsorption mechanism of CH4 in three kinds of clay minerals under shale reservoirs, Monte Cado 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 kJ/mol, so the adsorption of CH4 is physical.

关 键 词：分子模拟 黏土矿物 CH4 吸附行为 

分 类 号：P618.13[天文地球—矿床学]