IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v15y2024i1d10.1038_s41467-024-45077-6.html
   My bibliography  Save this article

Mechanistic exploration of polytetrafluoroethylene thermal plasma gasification through multiscale simulation coupled with experimental validation

Author

Listed:
  • Chu Chu

    (Tianjin University/Tianjin Key Lab of Biomass/Wastes Utilization)

  • Long Long Ma

    (Southeast University)

  • Hyder Alawi

    (Tianjin University/Tianjin Key Lab of Biomass/Wastes Utilization)

  • Wenchao Ma

    (Tianjin University/Tianjin Key Lab of Biomass/Wastes Utilization)

  • YiFei Zhu

    (Xi’an Jiaotong University)

  • Junhao Sun

    (Postdoctoral Programme, Guosen Securities)

  • Yao Lu

    (Hebei University of Technology)

  • Yixian Xue

    (Tianjin University/Tianjin Key Lab of Biomass/Wastes Utilization)

  • Guanyi Chen

    (Tianjin University/Tianjin Key Lab of Biomass/Wastes Utilization
    Tibet University
    Tianjin University of Commerce)

Abstract

The ever-growing quantities of persistent Polytetrafluoroethylene (PTFE) wastes, along with consequential ecological and human health concerns, stimulate the need for alternative PTFE disposal method. The central research challenge lies in elucidating the decomposition mechanism of PTFE during high-temperature waste treatment. Here, we propose the PTFE microscopic thermal decomposition pathways by integrating plasma gasification experiments with multi-scale simulations strategies. Molecular dynamic simulations reveal a pyrolysis—oxidation & chain-shortening—deep defluorination (POCD) degradation pathway in an oxygen atmosphere, and an F abstraction—hydrolysis—deep defluorination (FHD) pathway in a steam atmosphere. Density functional theory computations demonstrate the vital roles of 1O2 and ·H radicals in the scission of PTFE carbon skeleton, validating the proposed pathways. Experimental results confirm the simulation results and show that up to 80.12% of gaseous fluorine can be recovered through plasma gasification within 5 min, under the optimized operating conditions determined through response surface methodology.

Suggested Citation

  • Chu Chu & Long Long Ma & Hyder Alawi & Wenchao Ma & YiFei Zhu & Junhao Sun & Yao Lu & Yixian Xue & Guanyi Chen, 2024. "Mechanistic exploration of polytetrafluoroethylene thermal plasma gasification through multiscale simulation coupled with experimental validation," Nature Communications, Nature, vol. 15(1), pages 1-16, December.
  • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-45077-6
    DOI: 10.1038/s41467-024-45077-6
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-024-45077-6
    File Function: Abstract
    Download Restriction: no

    File URL: https://libkey.io/10.1038/s41467-024-45077-6?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
    ---><---

    References listed on IDEAS

    as
    1. Zhuo Xing & Lin Hu & Donald S. Ripatti & Xun Hu & Xiaofeng Feng, 2021. "Enhancing carbon dioxide gas-diffusion electrolysis by creating a hydrophobic catalyst microenvironment," Nature Communications, Nature, vol. 12(1), pages 1-11, December.
    2. David A. Ellis & Scott A. Mabury & Jonathan W. Martin & Derek C. G. Muir, 2001. "Thermolysis of fluoropolymers as a potential source of halogenated organic acids in the environment," Nature, Nature, vol. 412(6844), pages 321-324, July.
    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. Zhang, Zhihao & He, Guogeng & Hua, Jialiang & Hao, Zian & Ning, Qian & Zhou, Sai, 2024. "Comparison of combustion and interaction mechanisms of mixed working fluids R152a and R1270: A theoretical and experimental study," Energy, Elsevier, vol. 304(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. Xueping Qin & Heine A. Hansen & Karoliina Honkala & Marko M. Melander, 2023. "Cation-induced changes in the inner- and outer-sphere mechanisms of electrocatalytic CO2 reduction," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    2. Mengran Li & Erdem Irtem & Hugo-Pieter Iglesias van Montfort & Maryam Abdinejad & Thomas Burdyny, 2022. "Energy comparison of sequential and integrated CO2 capture and electrochemical conversion," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
    3. Yan Lin & Tuo Wang & Lili Zhang & Gong Zhang & Lulu Li & Qingfeng Chang & Zifan Pang & Hui Gao & Kai Huang & Peng Zhang & Zhi-Jian Zhao & Chunlei Pei & Jinlong Gong, 2023. "Tunable CO2 electroreduction to ethanol and ethylene with controllable interfacial wettability," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    4. Maria de los Angeles Garavagno & Rayne Holland & Md Anwar Hossain Khan & Andrew J. Orr-Ewing & Dudley E. Shallcross, 2024. "Trifluoroacetic Acid: Toxicity, Sources, Sinks and Future Prospects," Sustainability, MDPI, vol. 16(6), pages 1-31, March.
    5. Young-Jin Ko & Chulwan Lim & Junyoung Jin & Min Gyu Kim & Ji Yeong Lee & Tae-Yeon Seong & Kwan-Young Lee & Byoung Koun Min & Jae-Young Choi & Taegeun Noh & Gyu Weon Hwang & Woong Hee Lee & Hyung-Suk O, 2024. "Extrinsic hydrophobicity-controlled silver nanoparticles as efficient and stable catalysts for CO2 electrolysis," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    6. Bohua Ren & Guobin Wen & Rui Gao & Dan Luo & Zhen Zhang & Weibin Qiu & Qianyi Ma & Xin Wang & Yi Cui & Luis Ricardez–Sandoval & Aiping Yu & Zhongwei Chen, 2022. "Nano-crumples induced Sn-Bi bimetallic interface pattern with moderate electron bank for highly efficient CO2 electroreduction," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
    7. Guanhua Ren & Min Zhou & Peijun Hu & Jian-Fu Chen & Haifeng Wang, 2024. "Bubble-water/catalyst triphase interface microenvironment accelerates photocatalytic OER via optimizing semi-hydrophobic OH radical," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    8. Kezia Megagita Gerby Langie & Kyungjae Tak & Changsoo Kim & Hee Won Lee & Kwangho Park & Dongjin Kim & Wonsang Jung & Chan Woo Lee & Hyung-Suk Oh & Dong Ki Lee & Jai Hyun Koh & Byoung Koun Min & Da Hy, 2022. "Toward economical application of carbon capture and utilization technology with near-zero carbon emission," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    9. Ke Xie & Rui Kai Miao & Adnan Ozden & Shijie Liu & Zhu Chen & Cao-Thang Dinh & Jianan Erick Huang & Qiucheng Xu & Christine M. Gabardo & Geonhui Lee & Jonathan P. Edwards & Colin P. O’Brien & Shannon , 2022. "Bipolar membrane electrolyzers enable high single-pass CO2 electroreduction to multicarbon products," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    10. Chen, Jiateng & Xu, Le & Shen, Boxiong, 2024. "Recent advances in tandem electrocatalysis of carbon dioxide: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 199(C).

    More about this item

    Statistics

    Access and download statistics

    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:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-45077-6. 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: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    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.