煤矿安全2026，Vol.57Issue(2)：25-33,9.DOI:10.13347/j.cnki.mkaq.20241214
热效应和驱替效应下含压裂液煤层多分子竞争吸附规律研究
Research on competitive adsorption laws of multiple molecules in coal seams containing fracturing fluid under thermal effect and displacement effect
摘要
Abstract
In order to investigate the competitive adsorption pattern of N2/CH4 gases in coal under thermal and displacement effects,the study is based on the macromolecular model of bituminous coal,the adsorption behaviors of methane molecules,water mo-lecules and fracturing fluid molecules under heated nitrogen injection are simulated by molecular dynamics and Monte Carlo meth-ods,to investigate the interaction energy between fracturing fluid and coal surface molecules,and the microscopic laws of different gas injection temperatures,water contents and pore diameters on the competitive adsorption of N2/CH4.The results show that:the in-teraction between fracturing fluid molecules and coal molecules is 18.469 kJ/mol,the van der Waals interaction force between the systems is 23.732 kJ/mol,the electrostatic interaction force is-598.125 kJ/mol,and the stability of the system between the fracturing fluid molecules and the coal molecules is poor,which provides conditions for the injection of heated nitrogen to increase the seepage of the de-blocking;in the process of heated nitrogen injection,along with the increase of temperature,the adsorption capacity of N2 relative to CH4 in the model is enhanced;the increase in water content leads to a significant decrease in the adsorption of both CH4 and N2,and the adsorption capacity of CH4 remains stronger than that of N2 in the model;pore size has a significant effect on N2 ad-sorption,the dominance of CH4 begins to decrease with the increase of pore size,and the effect of N2 replacement to drive out CH4 is obvious when the pore size is 4 nm.关键词
煤层气/竞争吸附/驱替效应/注热氮/分子模拟Key words
coalbed methane/competitive adsorption/displacement effect/heated nitrogen injection/molecular modeling分类
矿业与冶金引用本文复制引用
左伟芹,罗予阳,刘彦伟,韩红凯,蒋雯吉,崔佩雯..热效应和驱替效应下含压裂液煤层多分子竞争吸附规律研究[J].煤矿安全,2026,57(2):25-33,9.基金项目
国家自然科学基金资助项目(52274188) （52274188）
煤矿灾害动力学与控制国家重点实验室开放课题资助项目(2011DA105827-FW202201) （2011DA105827-FW202201）
