Molecular Dynamics Simulation of CO 2 Storage in Reservoir Pores with a Dead-End

Zeming Ji, Chang He, Yingying Sun, Xiaokun Yue, Hongxu Fang, Xiaoqing Lu, Siyuan Liu () and Weifeng Lyu ()
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Zeming Ji: Research Institute of Petroleum Exploration & Development, Beijing 100083, China
Chang He: Research Institute of Petroleum Exploration & Development, Beijing 100083, China
Yingying Sun: Research Institute of Petroleum Exploration & Development, Beijing 100083, China
Xiaokun Yue: School of Materials Science and Engineering, China University of Petroleum, Qingdao 266580, China
Hongxu Fang: School of Materials Science and Engineering, China University of Petroleum, Qingdao 266580, China
Xiaoqing Lu: School of Materials Science and Engineering, China University of Petroleum, Qingdao 266580, China
Siyuan Liu: School of Materials Science and Engineering, China University of Petroleum, Qingdao 266580, China
Weifeng Lyu: Research Institute of Petroleum Exploration & Development, Beijing 100083, China

Energies, 2023, vol. 16, issue 21, 1-18

Abstract: The carbon capture, utilization and storage (CCUS) technique is widely applied in order to solve energy shortages and global warming, in which CO 2 storage plays an important part. Herein, the CO 2 storage in reservoir pores with a dead-end is investigated using a molecular dynamics simulation. The results indicate that, when a CO 2 molecule flows through a reservoir pore towards its dead-end, it is readily captured inside said dead-end. When the pressure difference of the CO 2 injection increases, the transport speed of the CO 2 becomes faster, and the storage efficiency increases. The rate constants for the absorption of the carbon dioxide at 5 MPa, 10 MPa, and 15 MPa are 0.47 m/s, 2.1 m/s, and 3.1 m/s. With the same main channel, a narrower dead-end with less oil molecules would cause a smaller spatial potential resistance, which would lead to a faster CO 2 replacement and storage process. The 3 nm main channel with a 1.5 nm dead-end model had the highest absorption rate of 5.3 m/s out of the three sets of models with different dead-ends. When the dead-end’s width was constant, the rate constants for the absorption of carbon dioxide in the 6 nm main channel with a 1.5 nm dead-end model was 1.8 m/s, which was higher than that of the 3 nm–1.5 nm model. This study investigates the mechanism of CO 2 storage in reservoir pores with a dead-end at the molecular level and provides a scientific basis for the practical application of CO 2 storage.

Keywords: oil displacement; molecular dynamics simulation; dead-end; nanopores (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2023
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