文献类型：期刊文献

英文题名：Adsorption and Diffusion Behaviors of CO2 and CH4 Mixtures in Different Types of Kerogens and Their Roles in Enhanced Energy Recovery

作者：Yuan, Shan[1,2];Gang, Hong-Ze[1,2,3];Liu, Yi-Fan[1,2,3];Zhou, Lei[1,2,3];Irfan, Muhammad[1,2,4];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, 130 Meilong Rd, Shanghai 200237, Peoples R China;[4]Univ Engn & Technol, Dept Chem Polymer & Composite Mat Engn, KSK Campus, Lahore 54980, Pakistan

年份：2022

卷号：14

期号：22

外文期刊名：SUSTAINABILITY

收录：;WOS:【SSCI(收录号:WOS:000887697200001)，SCI-EXPANDED(收录号:WOS:000887697200001)】；

基金：This work was supported by the National Natural Science Foundation of China (Nos. 52074129, 42061134011), the Natural Science Foundation of Shanghai (No. 21ZR1417400), and the Fundamental Research Funds for the Central Universities (No. 222201817017).

语种：英文

外文关键词：CO2 storage; adsorption; diffusion; kerogen type; enhanced energy recovery; molecular simulation

摘要：CO2 geological sequestration in subsurface shale formations is a promising strategy to store CO2 and to increase shale gas production. The understanding of gas adsorption and diffusion mechanisms in microporous media is critical for CO2 storage-enhanced gas recovery (CS-EGR). The type of kerogens is one of the important factors that influence the adsorption and diffusion behaviors of gases. In this work, the Grand Canonical Monte Carlo and Molecular Dynamics simulations were utilized to develop kerogen models and further investigate gas and water adsorption and diffusion behavior on the type IA, IIA, and IIIA kerogen models. The results indicated that the adsorption and diffusion capacities of CO2 are larger than those of CH4. The adsorption and diffusion capacity decreased with increasing water content. However, the CO2/CH4 adsorption selectivity increased with the increase in water content. Type IIIA demonstrated the best potential for adsorption and diffusion. This study provides insights into the role of the adsorption and diffusion behavior of CO2 and CH4 mixtures on kerogens of different types under different water contents at a microscopic scale, and can facilitate further understanding of the processes involved in CO2 storage coupled with enhanced energy recovery.