文献类型：期刊文献

英文题名：Insight into the Adsorption Mechanisms of CO2, CH4, and Their Mixtures on Kerogen Type IIIA

作者：Yuan, Shan[1,2];Gang, Hong-Ze[1,2,3];Zhou, Lei[1,2,3];Liang, Tian-Tian[1,2];Irfan, Muhammad[1,2,4];Kazmi, Mohsin[1,2,4];Liu, Jin-Feng[1,2,3];Yang, Shi-Zhong[1,2,3];Mu, Bo-Zhong[1,2,3]

机构：[1]East China Univ Sci & Technol, State Key Lab Bioreactor Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Engn Res Ctr Microbial Enhanced Oil Recovery, Shanghai 200237, Peoples R China;[4]Univ Engn & Technol, Dept Chem Polymer & Composite Mat Engn, Lahore 54890, Pakistan

年份：2020

卷号：34

期号：11

起止页码：14300

外文期刊名：ENERGY & FUELS

收录：;EI(收录号：20205209673732);WOS:【SCI-EXPANDED(收录号:WOS:000592961700085)】；

基金：This work was supported by the National Science Foundation of China (Grant 41530318), the Shanghai International Collaboration Program (Grant 18230743300), and the Fundamental Research Funds for the Central Universities (Grant 222201817017).

语种：英文

外文关键词：Petroleum reservoirs - Adsorption - Molecular dynamics - Kerogen - Enhanced recovery - Monte Carlo methods

摘要：The mechanisms of adsorption of methane (CH4) and carbon dioxide (CO2) are still a challenge in CO2 sequestration with enhanced gas recovery (CS-EGR) in shale gas reservoirs. In this study, we focus on the adsorption behaviors of CO2 and CH4 on kerogen type IIIA using molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulations. Simulation results indicated that the difference between the adsorption capacity of CO2 and CH4 increased with increase of mole fraction of CO2. The adsorption capacity of CO2/CH4 decreased with increase of the water content. Water showed a greater effect on the adsorption of CO2 than on that of CH4. The isosteric heat and adsorption selectivity of CO2/CH4 decreased at low water content and increased with increasing water content. This study provides certain theoretical guiding significance for the application of CS-EGR projects from a microscopic perspective.