Adsorption and Diffusion Behaviors of CO 2 and CH 4 Mixtures in Different Types of Kerogens and Their Roles in Enhanced Energy Recovery

Shan Yuan, Hong-Ze Gang, Yi-Fan Liu, Lei Zhou, Muhammad Irfan, Shi-Zhong Yang and Bo-Zhong Mu ()
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Shan Yuan: State Key Laboratory of Bioreactor Engineering and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China
Hong-Ze Gang: State Key Laboratory of Bioreactor Engineering and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China
Yi-Fan Liu: State Key Laboratory of Bioreactor Engineering and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China
Lei Zhou: State Key Laboratory of Bioreactor Engineering and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China
Muhammad Irfan: State Key Laboratory of Bioreactor Engineering and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China
Shi-Zhong Yang: State Key Laboratory of Bioreactor Engineering and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China
Bo-Zhong Mu: State Key Laboratory of Bioreactor Engineering and School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China

Sustainability, 2022, vol. 14, issue 22, 1-21

Abstract: CO 2 geological sequestration in subsurface shale formations is a promising strategy to store CO 2 and to increase shale gas production. The understanding of gas adsorption and diffusion mechanisms in microporous media is critical for CO 2 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 CO 2 are larger than those of CH 4 . The adsorption and diffusion capacity decreased with increasing water content. However, the CO 2 /CH 4 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 CO 2 and CH 4 mixtures on kerogens of different types under different water contents at a microscopic scale, and can facilitate further understanding of the processes involved in CO 2 storage coupled with enhanced energy recovery.

Keywords: CO 2 storage; adsorption; diffusion; kerogen type; enhanced energy recovery; molecular simulation (search for similar items in EconPapers)
JEL-codes: O13 Q Q0 Q2 Q3 Q5 Q56 (search for similar items in EconPapers)
Date: 2022
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