IDEAS home Printed from https://ideas.repec.org/a/eee/rensus/v167y2022ics1364032122007031.html
   My bibliography  Save this article

Research progress of molecular dynamics simulation on the formation-decomposition mechanism and stability of CO2 hydrate in porous media: A review

Author

Listed:
  • Zhang, Xuemin
  • Yang, Huijie
  • Huang, Tingting
  • Li, Jinping
  • Li, Pengyu
  • Wu, Qingbai
  • Wang, Yingmei
  • Zhang, Peng

Abstract

The technique of hydrate-based CO2 storage in sediments is an alternative option to mitigate global warming and reduce CO2 emissions. The formation-decomposition mechanism and stability of hydrate is the fundamental issue to illuminate the storage characteristic. In this review, we present a comprehensive overview on the progress of molecular dynamics (MD) simulation on the formation-decomposition mechanism and stability of hydrate in porous media. The microscopic mechanism of CO2 hydrate formation and decomposition is analyzed and summarized according to the superiority of MD simulation in predicting hydrate formation and decomposition. The elementary properties, microstructure and phase equilibrium characteristic of CO2 hydrate are systematically summarized. Various key factors affecting the formation and decomposition of CO2 hydrate are illustrated, including the porous media, additives and so on. Meanwhile, the decomposition characteristic and stability of CO2 hydrate was comprehensively reviewed. More importantly, the effects of porous media and additives on the formation and decomposition characteristics are also summarized. Knowledge gap still exists in understanding the formation-decomposition mechanism of CO2 hydrate in porous media, which is further augmented by the MD simulation. In addition, based on the current research, some drawbacks and limitations of MD simulation referring to the formation-decomposition and stability of CO2 hydrate are further discussed. This review summarizes the progress of MD simulation on hydrate formation and decomposition in recent years and provides valuable guidance for commercial CO2 capture and storage in sediments in the future.

Suggested Citation

  • Zhang, Xuemin & Yang, Huijie & Huang, Tingting & Li, Jinping & Li, Pengyu & Wu, Qingbai & Wang, Yingmei & Zhang, Peng, 2022. "Research progress of molecular dynamics simulation on the formation-decomposition mechanism and stability of CO2 hydrate in porous media: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 167(C).
  • Handle: RePEc:eee:rensus:v:167:y:2022:i:c:s1364032122007031
    DOI: 10.1016/j.rser.2022.112820
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S1364032122007031
    Download Restriction: Full text for ScienceDirect subscribers only

    File URL: https://libkey.io/10.1016/j.rser.2022.112820?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, Zhi & Zhang, Yue & Shen, Yimao & Cheng, Liwei & Liu, Bei & Yan, Kele & Chen, Guangjin & Li, Tianduo, 2022. "Molecular dynamics simulation to explore the synergistic inhibition effect of kinetic and thermodynamic hydrate inhibitors," Energy, Elsevier, vol. 238(PB).
    2. Charles A. Ogunbode & Rouven Doran & Gisela Böhm, 2020. "Exposure to the IPCC special report on 1.5 °C global warming is linked to perceived threat and increased concern about climate change," Climatic Change, Springer, vol. 158(3), pages 361-375, February.
    3. Jiafei Zhao & Kun Xu & Yongchen Song & Weiguo Liu & Weihaur Lam & Yu Liu & Kaihua Xue & Yiming Zhu & Xichong Yu & Qingping Li, 2012. "A Review on Research on Replacement of CH 4 in Natural Gas Hydrates by Use of CO 2," Energies, MDPI, vol. 5(2), pages 1-21, February.
    4. E. Dendy Sloan, 2003. "Fundamental principles and applications of natural gas hydrates," Nature, Nature, vol. 426(6964), pages 353-359, November.
    5. Ma, Z.W. & Zhang, P. & Bao, H.S. & Deng, S., 2016. "Review of fundamental properties of CO2 hydrates and CO2 capture and separation using hydration method," Renewable and Sustainable Energy Reviews, Elsevier, vol. 53(C), pages 1273-1302.
    6. T. M. L. Wigley, 1997. "Implications of recent CO2 emission-limitation proposals for stabilization of atmospheric concentrations," Nature, Nature, vol. 390(6657), pages 267-270, November.
    7. Babu, Ponnivalavan & Linga, Praveen & Kumar, Rajnish & Englezos, Peter, 2015. "A review of the hydrate based gas separation (HBGS) process for carbon dioxide pre-combustion capture," Energy, Elsevier, vol. 85(C), pages 261-279.
    8. He, Zhongjin & Mi, Fengyi & Ning, Fulong, 2021. "Molecular insights into CO2 hydrate formation in the presence of hydrophilic and hydrophobic solid surfaces," Energy, Elsevier, vol. 234(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. Sergey Misyura & Pavel Strizhak & Anton Meleshkin & Vladimir Morozov & Olga Gaidukova & Nikita Shlegel & Maria Shkola, 2023. "A Review of Gas Capture and Liquid Separation Technologies by CO 2 Gas Hydrate," Energies, MDPI, vol. 16(8), pages 1-20, April.

    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. Zheng, Junjie & Bhatnagar, Krittika & Khurana, Maninder & Zhang, Peng & Zhang, Bao-Yong & Linga, Praveen, 2018. "Semiclathrate based CO2 capture from fuel gas mixture at ambient temperature: Effect of concentrations of tetra-n-butylammonium fluoride (TBAF) and kinetic additives," Applied Energy, Elsevier, vol. 217(C), pages 377-389.
    2. Veluswamy, Hari Prakash & Kumar, Asheesh & Seo, Yutaek & Lee, Ju Dong & Linga, Praveen, 2018. "A review of solidified natural gas (SNG) technology for gas storage via clathrate hydrates," Applied Energy, Elsevier, vol. 216(C), pages 262-285.
    3. Feng, Jing-Chun & Wang, Yi & Li, Xiao-Sen, 2016. "Energy and entropy analyses of hydrate dissociation in different scales of hydrate simulator," Energy, Elsevier, vol. 102(C), pages 176-186.
    4. Li, Zheng & Zhong, Dong-Liang & Lu, Yi-Yu & Yan, Jin & Zou, Zhen-Lin, 2017. "Preferential enclathration of CO2 into tetra-n-butyl phosphonium bromide semiclathrate hydrate in moderate operating conditions: Application for CO2 capture from shale gas," Applied Energy, Elsevier, vol. 199(C), pages 370-381.
    5. Fengyi, Mi & Zhongjin, He & Guosheng, Jiang & Fulong, Ning, 2023. "Molecular insights into the effects of lignin on methane hydrate formation in clay nanopores," Energy, Elsevier, vol. 276(C).
    6. Chen, Zhaoyang & Fang, Jie & Xu, Chungang & Xia, Zhiming & Yan, Kefeng & Li, Xiaosen, 2020. "Carbon dioxide hydrate separation from Integrated Gasification Combined Cycle (IGCC) syngas by a novel hydrate heat-mass coupling method," Energy, Elsevier, vol. 199(C).
    7. Kim, Soyoung & Choi, Sung-Deuk & Seo, Yongwon, 2017. "CO2 capture from flue gas using clathrate formation in the presence of thermodynamic promoters," Energy, Elsevier, vol. 118(C), pages 950-956.
    8. Yan, Jin & Lu, Yi-Yu & Zhong, Dong-Liang & Zou, Zhen-Lin & Li, Jian-Bo, 2019. "Enhanced methane recovery from low-concentration coalbed methane by gas hydrate formation in graphite nanofluids," Energy, Elsevier, vol. 180(C), pages 728-736.
    9. Yu Liu & Xiangrui Liao & Changrui Shi & Zheng Ling & Lanlan Jiang, 2020. "Promoting and Inhibitory Effects of Hydrophilic/Hydrophobic Modified Aluminum Oxide Nanoparticles on Carbon Dioxide Hydrate Formation," Energies, MDPI, vol. 13(20), pages 1-14, October.
    10. Li, Ze-Yu & Xia, Zhi-Ming & Chen, Zhao-Yang & Li, Xiao-Sen & Xu, Chun-Gang & Yan, Ran, 2019. "The plateau effects and crystal transition study in Tetrahydrofuran (THF)/CO2/H2 hydrate formation processes," Applied Energy, Elsevier, vol. 238(C), pages 195-201.
    11. Cheng, Zucheng & Li, Shaohua & Liu, Yu & Zhang, Yi & Ling, Zheng & Yang, Mingjun & Jiang, Lanlan & Song, Yongchen, 2022. "Post-combustion CO2 capture and separation in flue gas based on hydrate technology:A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 154(C).
    12. Wang, Shuai & Sun, Huilian & Liu, Huiquan & Xi, Dezhi & Long, Jiayi & Zhang, Lunxiang & Zhao, Jiafei & Song, Yongchen & Shi, Changrui & Ling, Zheng, 2024. "Novel vermiculite/tannic acid composite aerogels with outstanding CO2 storage via enhanced gas hydrate formation," Energy, Elsevier, vol. 289(C).
    13. Wu, Yongji & He, Yurong & Tang, Tianqi & Zhai, Ming, 2023. "Molecular dynamic simulations of methane hydrate formation between solid surfaces: Implications for methane storage," Energy, Elsevier, vol. 262(PB).
    14. Liu, Fa-Ping & Li, Ai-Rong & Qing, Sheng-Lan & Luo, Ze-Dong & Ma, Yu-Ling, 2022. "Formation kinetics, mechanism of CO2 hydrate and its applications," Renewable and Sustainable Energy Reviews, Elsevier, vol. 159(C).
    15. Wang, Yiwei & Deng, Ye & Guo, Xuqiang & Sun, Qiang & Liu, Aixian & Zhang, Guangqing & Yue, Gang & Yang, Lanying, 2018. "Experimental and modeling investigation on separation of methane from coal seam gas (CSG) using hydrate formation," Energy, Elsevier, vol. 150(C), pages 377-395.
    16. Zhang, Zhengcai & Kusalik, Peter G. & Wu, Nengyou & Liu, Changling & Zhang, Yongchao, 2022. "Molecular simulation study on the stability of methane hydrate confined in slit-shaped pores," Energy, Elsevier, vol. 257(C).
    17. Zhang, Qiang & Zheng, Junjie & Zhang, Baoyong & Linga, Praveen, 2023. "Kinetic evaluation of hydrate-based coalbed methane recovery process promoted by structure II thermodynamic promoters and amino acids," Energy, Elsevier, vol. 274(C).
    18. Zhang, Zhengcai & Kusalik, Peter G. & Liu, Changling & Wu, Nengyou, 2023. "Methane hydrate formation in slit-shaped pores: Impacts of surface hydrophilicity," Energy, Elsevier, vol. 285(C).
    19. Zhang, Fengyuan & Wang, Xiaolin & Lou, Xia & Lipiński, Wojciech, 2021. "The effect of sodium dodecyl sulfate and dodecyltrimethylammonium chloride on the kinetics of CO2 hydrate formation in the presence of tetra-n-butyl ammonium bromide for carbon capture applications," Energy, Elsevier, vol. 227(C).
    20. Wang, Xiaolin & Zhang, Fengyuan & Lipiński, Wojciech, 2020. "Research progress and challenges in hydrate-based carbon dioxide capture applications," Applied Energy, Elsevier, vol. 269(C).

    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:rensus:v:167:y:2022:i:c:s1364032122007031. 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.elsevier.com/wps/find/journaldescription.cws_home/600126/description#description .

    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.