IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v219y2021ics0360544220327936.html
   My bibliography  Save this article

Molecular simulation of N2 and CO2 injection into a coal model containing adsorbed methane at different temperatures

Author

Listed:
  • Bai, Yang
  • Lin, Hai-Fei
  • Li, Shu-Gang
  • Yan, Min
  • Long, Hang

Abstract

To research the dynamic mechanism of nitrogen and carbon dioxide displacement of methane, we used the grand canonical Monte Carlo (GCMC) simulation method to determine the lowest energy coal model containing adsorbed methane. The desorption behavior of CH4 after the injection of N2 and CO2 at different temperatures was studied. Results show that CO2 and N2 were mainly used to drive off methane gas by occupying adsorption sites. The total energy of the CH4-CO2 model was lower than that of the CH4-N2 model. With the increased of temperature, the average relative concentration and motion velocity of CH4 in the vacuum layer increased. The relationship of the average relative concentration and average velocity distribution of the three gases in the vacuum layer was CH4>CO2>N2. Under the same time conditions, the relationship between the mean square displacement and diffusion coefficient of CH4, CO2, and N2 in different models was CH4>CO2>N2, and they all increased with temperature. The diffusion activation energy of CH4 in the model injected with CO2 was reduced by 20.53%, and the effect of injecting CO2 to promote the desorption of methane was better than that of N2.

Suggested Citation

  • Bai, Yang & Lin, Hai-Fei & Li, Shu-Gang & Yan, Min & Long, Hang, 2021. "Molecular simulation of N2 and CO2 injection into a coal model containing adsorbed methane at different temperatures," Energy, Elsevier, vol. 219(C).
    • Handle: RePEc:eee:energy:v:219:y:2021:i:c:s0360544220327936
    DOI: 10.1016/j.energy.2020.119686
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544220327936
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2020.119686?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. Hu, Haixiang & Li, Xiaochun & Fang, Zhiming & Wei, Ning & Li, Qianshu, 2010. "Small-molecule gas sorption and diffusion in coal: Molecular simulation," Energy, Elsevier, vol. 35(7), pages 2939-2944.
    2. Irfan, Muhammad F. & Usman, Muhammad R. & Kusakabe, K., 2011. "Coal gasification in CO2 atmosphere and its kinetics since 1948: A brief review," Energy, Elsevier, vol. 36(1), pages 12-40.
    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. 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).
    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).
    3. Li, Shugang & Yan, Dongjie & Yan, Min & Bai, Yang & Zhao, Bo & Long, Hang & Lin, Haifei, 2023. "Molecular simulation of alkyl glycoside surfactants with different concentrations inhibiting methane diffusion in coal," Energy, Elsevier, vol. 263(PB).
    4. Guang, Wenfeng & Zhang, Zhenyu & Zhang, Lei & Ranjith, P.G. & Hao, Shengpeng & Liu, Xiaoqian, 2023. "Confinement effect on transport diffusivity of adsorbed CO2–CH4 mixture in coal nanopores for CO2 sequestration and enhanced CH4 recovery," Energy, Elsevier, vol. 278(PA).
    5. Lin, Haifei & Li, Botao & Li, Shugang & Qin, Lei & Wei, Zongyong & Wang, Pei & Luo, Rongwei, 2023. "Numerical investigation of temperature distribution and thermal damage of heterogeneous coal under liquid nitrogen freezing," Energy, Elsevier, vol. 267(C).
    6. Zhang, Nan & Zhang, Jianliang & Wang, Guangwei & Ning, Xiaojun & Meng, Fanyi & Li, Chuanhui & Ye, Lian & Wang, Chuan, 2022. "Physicochemical characteristics of three-phase products of low-rank coal by hydrothermal carbonization: experimental research and quantum chemical calculation," Energy, Elsevier, vol. 261(PB).
    7. Bai, Yang & Lin, Hai-Fei & Li, Shu-Gang & Long, Hang & Yan, Min & Li, Yong & Qin, Lei & Zhou, Bin, 2022. "Experimental study on kinetic characteristics of gas diffusion in coal under nitrogen injection," Energy, Elsevier, vol. 254(PA).
    8. Wang, Kai & Wang, Yanhai & Xu, Chao & Guo, Haijun & Xu, Zhiyuan & Liu, Yifu & Dong, Huzi & Ju, Yang, 2023. "Modeling of multi-field gas desorption-diffusion in coal: A new insight into the bidisperse model," Energy, Elsevier, vol. 267(C).
    9. Tan, Bo & Cheng, Gang & Fu, Shuhui & Wang, Haiyan & Li, Zixu & Zhang, Xuedong, 2022. "Molecular simulation for physisorption characteristics of O2 in low-rank coals," Energy, Elsevier, vol. 242(C).
    10. Li, Jiawei & Sun, Chenhao, 2022. "Molecular insights on competitive adsorption and enhanced displacement effects of CO2/CH4 in coal for low-carbon energy technologies," Energy, Elsevier, vol. 261(PB).

    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. Lee, Sung-Wook & Park, Jong-Soo & Lee, Chun-Boo & Lee, Dong-Wook & Kim, Hakjoo & Ra, Ho Won & Kim, Sung-Hyun & Ryi, Shin-Kun, 2014. "H2 recovery and CO2 capture after water–gas shift reactor using synthesis gas from coal gasification," Energy, Elsevier, vol. 66(C), pages 635-642.
    2. Ján Kačur & Marek Laciak & Milan Durdán & Patrik Flegner, 2023. "Investigation of Underground Coal Gasification in Laboratory Conditions: A Review of Recent Research," Energies, MDPI, vol. 16(17), pages 1-55, August.
    3. Im-orb, Karittha & Simasatitkul, Lida & Arpornwichanop, Amornchai, 2016. "Techno-economic analysis of the biomass gasification and Fischer–Tropsch integrated process with off-gas recirculation," Energy, Elsevier, vol. 94(C), pages 483-496.
    4. Duan, Zhengxiao & Zhang, Yanni & Deng, Jun & Shu, Pan & Yao, Di, 2023. "A systematic exploration of mapping knowledge domains for free radical research related to coal," Energy, Elsevier, vol. 282(C).
    5. Zhouhua Wang & Yun Li & Huang Liu & Fanhua Zeng & Ping Guo & Wei Jiang, 2017. "Study on the Adsorption, Diffusion and Permeation Selectivity of Shale Gas in Organics," Energies, MDPI, vol. 10(1), pages 1-15, January.
    6. Prabu, V. & Geeta, K., 2015. "CO2 enhanced in-situ oxy-coal gasification based carbon-neutral conventional power generating systems," Energy, Elsevier, vol. 84(C), pages 672-683.
    7. Chen, Junqing & Jiang, Fujie & Cong, Qi & Pang, Xiongqi & Ma, Kuiyou & Shi, Kanyuan & Pang, Bo & Chen, Dongxia & Pang, Hong & Yang, Xiaobin & Wang, Yuying & Li, Bingyao, 2023. "Adsorption characteristics of shale gas in organic–inorganic slit pores," Energy, Elsevier, vol. 278(C).
    8. Prabowo, Bayu & Aziz, Muhammad & Umeki, Kentaro & Susanto, Herri & Yan, Mi & Yoshikawa, Kunio, 2015. "CO2-recycling biomass gasification system for highly efficient and carbon-negative power generation," Applied Energy, Elsevier, vol. 158(C), pages 97-106.
    9. Zhao, Jingyu & Deng, Jun & Wang, Tao & Song, Jiajia & Zhang, Yanni & Shu, Chi-Min & Zeng, Qiang, 2019. "Assessing the effectiveness of a high-temperature-programmed experimental system for simulating the spontaneous combustion properties of bituminous coal through thermokinetic analysis of four oxidatio," Energy, Elsevier, vol. 169(C), pages 587-596.
    10. Samuel C. Bayham & Andrew Tong & Mandar Kathe & Liang-Shih Fan, 2016. "Chemical looping technology for energy and chemical production," Wiley Interdisciplinary Reviews: Energy and Environment, Wiley Blackwell, vol. 5(2), pages 216-241, March.
    11. José Luis Míguez & Jacobo Porteiro & Raquel Pérez-Orozco & Miguel Ángel Gómez, 2018. "Technology Evolution in Membrane-Based CCS," Energies, MDPI, vol. 11(11), pages 1-18, November.
    12. 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).
    13. 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).
    14. Sirui Tong & Bin Miao & Lan Zhang & Siew Hwa Chan, 2022. "Decarbonizing Natural Gas: A Review of Catalytic Decomposition and Carbon Formation Mechanisms," Energies, MDPI, vol. 15(7), pages 1-30, April.
    15. Ziębik, Andrzej & Malik, Tomasz & Liszka, Marcin, 2015. "Thermodynamic evaluation of CHP (combined heat and power) plants integrated with installations of coal gasification," Energy, Elsevier, vol. 92(P2), pages 179-188.
    16. Zhang, Huining & Dong, Jianping & Wei, Chao & Cao, Caifang & Zhang, Zuotai, 2022. "Future trend of terminal energy conservation in steelmaking plant: Integration of molten slag heat recovery-combustible gas preparation from waste plastics and CO2 emission reduction," Energy, Elsevier, vol. 239(PE).
    17. Huang, Haiping & Wang, Eric, 2020. "A laboratory investigation of the impact of solvent treatment on the permeability of bituminous coal from Western Canada with a focus on microbial in-situ processing of coals," Energy, Elsevier, vol. 210(C).
    18. Yao, Xiwen & Liu, Qinghua & Kang, Zijian & An, Zhixing & Zhou, Haodong & Xu, Kaili, 2023. "Quantitative study on thermal conversion behaviours and gas emission properties of biomass in nitrogen and in CO2/N2 mixtures by TGA/DTG and a fixed-bed tube furnace," Energy, Elsevier, vol. 270(C).
    19. Hong, Yong C. & Lee, Sang J. & Shin, Dong H. & Kim, Ye J. & Lee, Bong J. & Cho, Seong Y. & Chang, Han S., 2012. "Syngas production from gasification of brown coal in a microwave torch plasma," Energy, Elsevier, vol. 47(1), pages 36-40.
    20. Janusz Zdeb & Natalia Howaniec & Adam Smoliński, 2019. "Utilization of Carbon Dioxide in Coal Gasification—An Experimental Study," Energies, MDPI, vol. 12(1), pages 1-12, January.

    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:219:y:2021:i:c:s0360544220327936. 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.