IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v266y2023ics0360544222032790.html
   My bibliography  Save this article

Molecular simulation of supercritical CO2 extracting organic matter from coal based on the technology of CO2-ECBM

Author

Listed:
  • Lu, Yanjun
  • Han, Jinxuan
  • Yang, Manping
  • Chen, Xingyu
  • Zhu, Hongjian
  • Yang, Zhaozhong

Abstract

Supercritical CO2 (ScCO2) can affect the adsorption of coalbed methane (CBM) by changing the pore structure. In order to explore the mechanism of ScCO2 extracting organic matter from coal at the micro scale, molecular simulation was used to study it. During the simulation, the temperature and the pressure were set 307.65 K and above 7.5 MPa, respectively, and the organic matter molecules were selected in the Wiser model. According to the analysis of simulation results: The greater the difference between the solubility parameters of ScCO2 and coal organic molecules, the worse their blending, and the more difficult it is for ScCO2 to extract organic small molecules from coal. Pressurization promotes the irregular movement of particles in the equilibrium blend system, and makes the properties inside the system gradually tend to be uniform. Therefore, Pressurization facilitates the stability of the thermodynamic properties of the blend system and increases the possibility of ScCO2 extracting coal organic matter. The synergistic effect of high pressure and the number of organic molecules is beneficial to the extraction of organic matter from coal by ScCO2, and the blend system with the extract is stable in thermodynamic properties. This study provides a theoretical basis for the application of CO2-ECBM.

Suggested Citation

  • Lu, Yanjun & Han, Jinxuan & Yang, Manping & Chen, Xingyu & Zhu, Hongjian & Yang, Zhaozhong, 2023. "Molecular simulation of supercritical CO2 extracting organic matter from coal based on the technology of CO2-ECBM," Energy, Elsevier, vol. 266(C).
    • Handle: RePEc:eee:energy:v:266:y:2023:i:c:s0360544222032790
    DOI: 10.1016/j.energy.2022.126393
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544222032790
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2022.126393?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Li, Hongjun & Chang, Qinghua & Gao, Rui & Dai, Zhenghua & Chen, Xueli & Yu, Guangsuo & Wang, Fuchen, 2018. "Fractal characteristics and reactivity evolution of lignite during the upgrading process by supercritical CO2 extraction," Applied Energy, Elsevier, vol. 225(C), pages 559-569.
    2. Fan, Chaojun & Elsworth, Derek & Li, Sheng & Zhou, Lijun & Yang, Zhenhua & Song, Yu, 2019. "Thermo-hydro-mechanical-chemical couplings controlling CH4 production and CO2 sequestration in enhanced coalbed methane recovery," Energy, Elsevier, vol. 173(C), pages 1054-1077.
    3. Jiang, Yongdong & Luo, Yahuang & Lu, Yiyu & Qin, Chao & Liu, Hui, 2016. "Effects of supercritical CO2 treatment time, pressure, and temperature on microstructure of shale," Energy, Elsevier, vol. 97(C), pages 173-181.
    4. Qin, Chao & Jiang, Yongdong & Luo, Yahuang & Zhou, Junping & Liu, Hao & Song, Xiao & Li, Dong & Zhou, Feng & Xie, Yingliang, 2020. "Effect of supercritical CO2 saturation pressures and temperatures on the methane adsorption behaviours of Longmaxi shale," Energy, Elsevier, vol. 206(C).
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Yansong Bai & Ziwen Li & Hongjin Yu & Hongqing Hu & Yinji Wang, 2023. "Molecular Dynamics Simulation of CH 4 Displacement through Different Sequential Injections of CO 2 /N 2," Sustainability, MDPI, vol. 15(23), pages 1-15, December.
    2. Ji, Bingnan & Pan, Hongyu & Pang, Mingkun & Pan, Mingyue & Zhang, Hang & Zhang, Tianjun, 2023. "Molecular simulation of CH4 adsorption characteristics in bituminous coal after different functional group fractures," Energy, Elsevier, vol. 282(C).

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Qin, Chao & Jiang, Yongdong & Zhou, Junping & Zuo, Shuangying & Chen, Shiwan & Liu, Zhengjie & Yin, Hong & Li, Ye, 2022. "Influence of supercritical CO2 exposure on water wettability of shale: Implications for CO2 sequestration and shale gas recovery," Energy, Elsevier, vol. 242(C).
    2. Qin, Chao & Jiang, Yongdong & Cao, Mengyao & Zhou, Junping & Song, Xiao & Zuo, Shuangying & Chen, Shiwan & Luo, Yahuang & Xiao, Siyou & Yin, Hong & Du, Xidong, 2023. "Experimental study on the methane desorption-diffusion behavior of Longmaxi shale exposure to supercritical CO2," Energy, Elsevier, vol. 262(PA).
    3. Zhao, Weizhong & Su, Xianbo & Xia, Daping & Hou, Shihui & Wang, Qian & Zhou, Yixuan, 2022. "Enhanced coalbed methane recovery by the modification of coal reservoir under the supercritical CO2 extraction and anaerobic digestion," Energy, Elsevier, vol. 259(C).
    4. Feng, Gan & Kang, Yong & Sun, Ze-dong & Wang, Xiao-chuan & Hu, Yao-qing, 2019. "Effects of supercritical CO2 adsorption on the mechanical characteristics and failure mechanisms of shale," Energy, Elsevier, vol. 173(C), pages 870-882.
    5. Lin, Jia & Ren, Ting & Cheng, Yuanping & Nemcik, Jan & Wang, Gongda, 2019. "Cyclic N2 injection for enhanced coal seam gas recovery: A laboratory study," Energy, Elsevier, vol. 188(C).
    6. Qin, Chao & Jiang, Yongdong & Fu, Yong & Chen, Shiwan & Song, Xiao & Zuo, Shuangying & Wu, Daoyong & Zou, Niuniu, 2023. "Thermodynamic characteristics of high-pressure CH4 adsorption on longmaxi shale subjected to supercritical CO2-water saturation," Energy, Elsevier, vol. 263(PC).
    7. Yin, Hong & Zhou, Junping & Xian, Xuefu & Jiang, Yongdong & Lu, Zhaohui & Tan, Jingqiang & Liu, Guojun, 2017. "Experimental study of the effects of sub- and super-critical CO2 saturation on the mechanical characteristics of organic-rich shales," Energy, Elsevier, vol. 132(C), pages 84-95.
    8. Wang, Chongyang & Zhang, Dongming & Liu, Chenxi & Pan, Yisha & Jiang, Zhigang & Yu, Beichen & Lin, Yun, 2023. "Deformation and seepage characteristics of water-saturated shale under true triaxial stress," Energy, Elsevier, vol. 284(C).
    9. Fan, Lurong & Xu, Jiuping, 2020. "Authority–enterprise equilibrium based mixed subsidy mechanism for carbon reduction and energy utilization in the coalbed methane industry," Energy Policy, Elsevier, vol. 147(C).
    10. Cai, Mingyu & Su, Yuliang & Elsworth, Derek & Li, Lei & Fan, Liyao, 2021. "Hydro-mechanical-chemical modeling of sub-nanopore capillary-confinement on CO2-CCUS-EOR," Energy, Elsevier, vol. 225(C).
    11. Qin, Chao & Jiang, Yongdong & Zuo, Shuangying & Chen, Shiwan & Xiao, Siyou & Liu, Zhengjie, 2021. "Investigation of adsorption kinetics of CH4 and CO2 on shale exposure to supercritical CO2," Energy, Elsevier, vol. 236(C).
    12. Ziwen Li & Hongjin Yu & Yansong Bai, 2022. "Numerical Simulation of CO 2 -ECBM Based on Multi-Physical Field Coupling Model," Sustainability, MDPI, vol. 14(18), pages 1-15, September.
    13. An, Qiyi & Zhang, Qingsong & Li, Xianghui & Yu, Hao & Yin, Zhanchao & Zhang, Xiao, 2022. "Accounting for dynamic alteration effect of SC-CO2 to assess role of pore structure on rock strength: A comparative study," Energy, Elsevier, vol. 260(C).
    14. Zhou, Junping & Tian, Shifeng & Zhou, Lei & Xian, Xuefu & Yang, Kang & Jiang, Yongdong & Zhang, Chengpeng & Guo, Yaowen, 2020. "Experimental investigation on the influence of sub- and super-critical CO2 saturation time on the permeability of fractured shale," Energy, Elsevier, vol. 191(C).
    15. Chengkai Fan & Qi Li & Jianli Ma & Duoxing Yang, 2019. "Fiber Bragg grating‐based experimental and numerical investigations of CO2 migration front in saturated sandstone under subcritical and supercritical conditions," Greenhouse Gases: Science and Technology, Blackwell Publishing, vol. 9(1), pages 106-124, February.
    16. Liu, Bo & Mohammadi, Mohammad-Reza & Ma, Zhongliang & Bai, Longhui & Wang, Liu & Xu, Yaohui & Hemmati-Sarapardeh, Abdolhossein & Ostadhassan, Mehdi, 2023. "Pore structure evolution of Qingshankou shale (kerogen type I) during artificial maturation via hydrous and anhydrous pyrolysis: Experimental study and intelligent modeling," Energy, Elsevier, vol. 282(C).
    17. Yang, Xue & Chen, Zeqin & Liu, Xiaoqiang & Xue, Zhiyu & Yue, Fen & Wen, Junjie & Li, Meijun & Xue, Ying, 2022. "Correction of gas adsorption capacity in quartz nanoslit and its application in recovering shale gas resources by CO2 injection: A molecular simulation," Energy, Elsevier, vol. 240(C).
    18. Wenjie Xu & Xigui Zheng & Cancan Liu & Peng Li & Boyang Li & Kundai Michael Shayanowako & Jiyu Wang & Xiaowei Guo & Guowei Lai, 2022. "Numerical Simulation Study of High-Pressure Air Injection to Promote Gas Drainage," Sustainability, MDPI, vol. 14(21), pages 1-15, October.
    19. Liu, Huang & Yao, Desong & Yang, Bowen & Li, Huashi & Guo, Ping & Du, Jianfen & Wang, Jian & Yang, Shuokong & Wen, Lianhui, 2022. "Experimental investigation on the mechanism of low permeability natural gas extraction accompanied by carbon dioxide sequestration," Energy, Elsevier, vol. 253(C).
    20. Sean P. Rigby & Ali Alsayah & Richard Seely, 2022. "Impact of Exposure to Supercritical Carbon Dioxide on Reservoir Caprocks and Inter-Layers during Sequestration," Energies, MDPI, vol. 15(20), pages 1-34, October.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:energy:v:266:y:2023:i:c:s0360544222032790. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/energy .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.