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Multi-scale computer-aided design and photo-controlled macromolecular synthesis boosting uranium harvesting from seawater

Author

Listed:
  • Zeyu Liu

    (Tsinghua University)

  • Youshi Lan

    (China Institute of Atomic Energy, Department of Radiochemistry)

  • Jianfeng Jia

    (Tsinghua University)

  • Yiyun Geng

    (Tsinghua University)

  • Xiaobin Dai

    (Tsinghua University)

  • Litang Yan

    (Tsinghua University)

  • Tongyang Hu

    (Tsinghua University)

  • Jing Chen

    (Tsinghua University)

  • Krzysztof Matyjaszewski

    (Carnegie Mellon University)

  • Gang Ye

    (Tsinghua University)

Abstract

By integrating multi-scale computational simulation with photo-regulated macromolecular synthesis, this study presents a new paradigm for smart design while customizing polymeric adsorbents for uranium harvesting from seawater. A dissipative particle dynamics (DPD) approach, combined with a molecular dynamics (MD) study, is performed to simulate the conformational dynamics and adsorption process of a model uranium grabber, i.e., PAOm-b-PPEGMAn, suggesting that the maximum adsorption capacity with atomic economy can be achieved with a preferred block ratio of 0.18. The designed polymers are synthesized using the PET-RAFT polymerization in a microfluidic platform, exhibiting a record high adsorption capacity of uranium (11.4 ± 1.2 mg/g) in real seawater within 28 days. This study offers an integrated perspective to quantitatively assess adsorption phenomena of polymers, bridging metal-ligand interactions at the molecular level with their spatial conformations at the mesoscopic level. The established protocol is generally adaptable for target-oriented development of more advanced polymers for broadened applications.

Suggested Citation

  • Zeyu Liu & Youshi Lan & Jianfeng Jia & Yiyun Geng & Xiaobin Dai & Litang Yan & Tongyang Hu & Jing Chen & Krzysztof Matyjaszewski & Gang Ye, 2022. "Multi-scale computer-aided design and photo-controlled macromolecular synthesis boosting uranium harvesting from seawater," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    • Handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-31360-x
    DOI: 10.1038/s41467-022-31360-x
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    Cited by:

    1. Peng Gao & Yezi Hu & Zewen Shen & Guixia Zhao & Ruiqing Cai & Feng Chu & Zhuoyu Ji & Xiangke Wang & Xiubing Huang, 2024. "Ultra-highly efficient enrichment of uranium from seawater via studtite nanodots growth-elution cycle," Nature Communications, Nature, vol. 15(1), pages 1-12, December.
    2. Wei-Wei Fang & Gui-Yu Yang & Zi-Hui Fan & Zi-Chao Chen & Xun-Liang Hu & Zhen Zhan & Irshad Hussain & Yang Lu & Tao He & Bi-En Tan, 2023. "Conjugated cross-linked phosphine as broadband light or sunlight-driven photocatalyst for large-scale atom transfer radical polymerization," Nature Communications, Nature, vol. 14(1), pages 1-10, December.

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