IDEAS home Printed from https://ideas.repec.org/a/eee/appene/v364y2024ics0306261924005270.html
   My bibliography  Save this article

A systematic analysis and optimization of bicarbonate electrolysis based on a bipolar membrane through multiscale simulation

Author

Listed:
  • Tian, Di
  • Wu, Ruobing
  • Qu, Zhiguo
  • Wang, Hui

Abstract

Bicarbonate electrolysis facilitated by bipolar membrane has emerged as a compelling alternative to gaseous CO2 electrolysis, primarily because of its enhanced product concentration and streamlined processes. However, despite increasing attention, a comprehensive understanding of bicarbonate electrolysis has been eclipsed by the complexity of the intertwined electrode reactions and water dissociation promotion mechanisms of bipolar membranes. A physics-based modeling approach has substantial potential to untangle the impact of intertwined physicochemical processes and expedite the optimization of bicarbonate electrolysis. In this study, a multiscale model coupled with a 1D bipolar membrane and a 2D cathode model is presented to explore the effects of bipolar membranes on cathode reactions and performance optimization using H+ flux as a bridge. For a bipolar membrane, the attenuation mechanism of water dissociation involving ohmic and concentration losses is presented and described using mathematical eqs. A quantification metric, the water dissociation efficiency of a bipolar membrane, is proposed to denote the degree of promoted water dissociation. Two noteworthy parameters related to the fixed functional group concentration are determined and detailed: the onset current density required to stimulate water dissociation and the limited water dissociation efficiency caused by attenuation. For the cathode, a synergistic enhancement mechanism among the operating parameters, membrane properties, and cathode properties is identified. The combined effect of these parameters on the electrolytic performance surpasses the sum of their individual enhancements. Following parameter optimization, there is a notable increase in the current density and Faraday efficiency of bicarbonate electrolysis by 68.6 mA/cm2 and 18.3%, respectively. This study provides a holistic understanding of bicarbonate electrolysis and substantial guidance for its future design.

Suggested Citation

  • Tian, Di & Wu, Ruobing & Qu, Zhiguo & Wang, Hui, 2024. "A systematic analysis and optimization of bicarbonate electrolysis based on a bipolar membrane through multiscale simulation," Applied Energy, Elsevier, vol. 364(C).
    • Handle: RePEc:eee:appene:v:364:y:2024:i:c:s0306261924005270
    DOI: 10.1016/j.apenergy.2024.123144
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0306261924005270
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.apenergy.2024.123144?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. Chen, Hao & Dong, Sheying & Zhang, Yaojun & He, Panyang, 2022. "A comparative study on energy efficient CO2 capture using amine grafted solid sorbent: Materials characterization, isotherms, kinetics and thermodynamics," Energy, Elsevier, vol. 239(PD).
    2. Miao Zhong & Kevin Tran & Yimeng Min & Chuanhao Wang & Ziyun Wang & Cao-Thang Dinh & Phil De Luna & Zongqian Yu & Armin Sedighian Rasouli & Peter Brodersen & Song Sun & Oleksandr Voznyy & Chih-Shan Ta, 2020. "Accelerated discovery of CO2 electrocatalysts using active machine learning," Nature, Nature, vol. 581(7807), pages 178-183, May.
    3. Zhang, Hao & Wang, Huizhi & Jiao, Kui & Xuan, Jin, 2020. "pH-differential design and operation of electrochemical and photoelectrochemical systems with bipolar membrane," Applied Energy, Elsevier, vol. 268(C).
    4. J. Stuart B. Wyithe & Abraham Loeb, 2002. "Magnification of light from many distant quasars by gravitational lenses," Nature, Nature, vol. 417(6892), pages 923-925, June.
    Full references (including those not matched with items on IDEAS)

    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. Jikai Sun & Rui Tu & Yuchun Xu & Hongyan Yang & Tie Yu & Dong Zhai & Xiuqin Ci & Weiqiao Deng, 2024. "Machine learning aided design of single-atom alloy catalysts for methane cracking," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    2. Xiaojie She & Lingling Zhai & Yifei Wang & Pei Xiong & Molly Meng-Jung Li & Tai-Sing Wu & Man Chung Wong & Xuyun Guo & Zhihang Xu & Huaming Li & Hui Xu & Ye Zhu & Shik Chi Edman Tsang & Shu Ping Lau, 2024. "Pure-water-fed, electrocatalytic CO2 reduction to ethylene beyond 1,000 h stability at 10 A," Nature Energy, Nature, vol. 9(1), pages 81-91, January.
    3. Jing Xue & Xue Dong & Chunxiao Liu & Jiawei Li & Yizhou Dai & Weiqing Xue & Laihao Luo & Yuan Ji & Xiao Zhang & Xu Li & Qiu Jiang & Tingting Zheng & Jianping Xiao & Chuan Xia, 2024. "Turning copper into an efficient and stable CO evolution catalyst beyond noble metals," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    4. Jin Zhang & Chenxi Guo & Susu Fang & Xiaotong Zhao & Le Li & Haoyang Jiang & Zhaoyang Liu & Ziqi Fan & Weigao Xu & Jianping Xiao & Miao Zhong, 2023. "Accelerating electrochemical CO2 reduction to multi-carbon products via asymmetric intermediate binding at confined nanointerfaces," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    5. Dong Hyeon Mok & Hong Li & Guiru Zhang & Chaehyeon Lee & Kun Jiang & Seoin Back, 2023. "Data-driven discovery of electrocatalysts for CO2 reduction using active motifs-based machine learning," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    6. Kangming Li & Daniel Persaud & Kamal Choudhary & Brian DeCost & Michael Greenwood & Jason Hattrick-Simpers, 2023. "Exploiting redundancy in large materials datasets for efficient machine learning with less data," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    7. Jiawei Li & Hongliang Zeng & Xue Dong & Yimin Ding & Sunpei Hu & Runhao Zhang & Yizhou Dai & Peixin Cui & Zhou Xiao & Donghao Zhao & Liujiang Zhou & Tingting Zheng & Jianping Xiao & Jie Zeng & Chuan X, 2023. "Selective CO2 electrolysis to CO using isolated antimony alloyed copper," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    8. Yufei Cao & Zhu Chen & Peihao Li & Adnan Ozden & Pengfei Ou & Weiyan Ni & Jehad Abed & Erfan Shirzadi & Jinqiang Zhang & David Sinton & Jun Ge & Edward H. Sargent, 2023. "Surface hydroxide promotes CO2 electrolysis to ethylene in acidic conditions," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
    9. Jiawei Zhu & Yu Zhang & Zitao Chen & Zhenbao Zhang & Xuezeng Tian & Minghua Huang & Xuedong Bai & Xue Wang & Yongfa Zhu & Heqing Jiang, 2024. "Superexchange-stabilized long-distance Cu sites in rock-salt-ordered double perovskite oxides for CO2 electromethanation," Nature Communications, Nature, vol. 15(1), pages 1-10, December.
    10. Stefan Ringe, 2023. "The importance of a charge transfer descriptor for screening potential CO2 reduction electrocatalysts," Nature Communications, Nature, vol. 14(1), pages 1-14, December.
    11. Luis Moles & Alain Andres & Goretti Echegaray & Fernando Boto, 2024. "Exploring Data Augmentation and Active Learning Benefits in Imbalanced Datasets," Mathematics, MDPI, vol. 12(12), pages 1-39, June.
    12. Xiaohan Yu & Yuting Xu & Le Li & Mingzhe Zhang & Wenhao Qin & Fanglin Che & Miao Zhong, 2024. "Coverage enhancement accelerates acidic CO2 electrolysis at ampere-level current with high energy and carbon efficiencies," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    13. Chen, Zhangsen & Zhang, Gaixia & Chen, Hangrong & Prakash, Jai & Zheng, Yi & Sun, Shuhui, 2022. "Multi-metallic catalysts for the electroreduction of carbon dioxide: Recent advances and perspectives," Renewable and Sustainable Energy Reviews, Elsevier, vol. 155(C).
    14. Carina Yi Jing Lim & Meltem Yilmaz & Juan Manuel Arce-Ramos & Albertus D. Handoko & Wei Jie Teh & Yuangang Zheng & Zi Hui Jonathan Khoo & Ming Lin & Mark Isaacs & Teck Lip Dexter Tam & Yang Bai & Chee, 2023. "Surface charge as activity descriptors for electrochemical CO2 reduction to multi-carbon products on organic-functionalised Cu," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    15. Cheng Du & Joel P. Mills & Asfaw G. Yohannes & Wei Wei & Lei Wang & Siyan Lu & Jian-Xiang Lian & Maoyu Wang & Tao Guo & Xiyang Wang & Hua Zhou & Cheng-Jun Sun & John Z. Wen & Brian Kendall & Martin Co, 2023. "Cascade electrocatalysis via AgCu single-atom alloy and Ag nanoparticles in CO2 electroreduction toward multicarbon products," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    16. SJ, Balaji & Babu, Suresh Chandra & Pal, Suresh, 2021. "Understanding Science and Policy Making in Agriculture: A Machine Learning Application for India," 2021 Conference, August 17-31, 2021, Virtual 315227, International Association of Agricultural Economists.
    17. Bo Peng & Ye Wei & Yu Qin & Jiabao Dai & Yue Li & Aobo Liu & Yun Tian & Liuliu Han & Yufeng Zheng & Peng Wen, 2023. "Machine learning-enabled constrained multi-objective design of architected materials," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    18. Hefei Li & Pengfei Wei & Tianfu Liu & Mingrun Li & Chao Wang & Rongtan Li & Jinyu Ye & Zhi-You Zhou & Shi-Gang Sun & Qiang Fu & Dunfeng Gao & Guoxiong Wang & Xinhe Bao, 2024. "CO electrolysis to multicarbon products over grain boundary-rich Cu nanoparticles in membrane electrode assembly electrolyzers," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    19. Kaihang Yue & Yanyang Qin & Honghao Huang & Zhuoran Lv & Mingzhi Cai & Yaqiong Su & Fuqiang Huang & Ya Yan, 2024. "Stabilized Cu0 -Cu1+ dual sites in a cyanamide framework for selective CO2 electroreduction to ethylene," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    20. Jiaqi Feng & Limin Wu & Xinning Song & Libing Zhang & Shunhan Jia & Xiaodong Ma & Xingxing Tan & Xinchen Kang & Qinggong Zhu & Xiaofu Sun & Buxing Han, 2024. "CO2 electrolysis to multi-carbon products in strong acid at ampere-current levels on La-Cu spheres with channels," Nature Communications, Nature, vol. 15(1), pages 1-11, December.

    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:appene:v:364:y:2024:i:c:s0306261924005270. 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/405891/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.