CIESC Journal ›› 2025, Vol. 76 ›› Issue (4): 1604-1616.DOI: 10.11949/0438-1157.20241136

• Separation engineering • Previous Articles     Next Articles

Adsorption properties of modified UIO-66 for SF6/N2 gas mixture and its decomposition products

Feng ZHU(), Yue ZHAO, Fengxiang MA, Wei LIU   

  1. State Grid Anhui Electrical Power Research Institute, Hefei 230601, Anhui, China
  • Received:2024-10-14 Revised:2024-11-21 Online:2025-05-12 Published:2025-04-25
  • Contact: Feng ZHU

改性UIO-66对SF6/N2混合气体及其分解产物的吸附特性

朱峰(), 赵跃, 马凤翔, 刘伟   

  1. 国网安徽省电力有限公司电力科学研究院,安徽 合肥 230601
  • 通讯作者: 朱峰
  • 作者简介:朱峰(1990—),男,硕士,高级工程师,feng342524@126.com
  • 基金资助:
    国家重点研发计划项目(2021YFF0603100)

Abstract:

Compared with pure SF6 gas, the decomposition products produced by the discharge failure of SF6/N2 gas mixture GIS equipment are more complex, which increases the difficulty of purifying the SF6/N2 gas mixture. Therefore, it is of great significance to study the adsorption and purification methods of decomposition products of SF6/N2 gas mixture. In this paper, an experimental platform for adsorption of decomposition products of corona discharge was designed and built, and the SF6/N2 gas mixture and its decomposition products were quantitatively analyzed. In the adsorption platform, UIO-66 was used to conduct adsorption experiments on SF6/N2 gas mixture and its decomposition products, and the adsorption capacity of UIO-66 was analyzed. Based on the theoretical basis of quantum chemistry and classical mechanics, the bonding space and geometric parameters between atoms are carefully optimized to ensure that the simulated structure and gas molecules are close to the real shape. Based on molecular dynamics theory, UIO-66 before modification and three kinds of modified organometallic frameworks (UIO-66-12Ti, UIO-66-24Ti and UIO-66-36Ti) were analyzed, and the diffusion behavior of SF6/N2 gas mixture and its decomposition products in four kinds of organometallic frameworks was simulated at 300 K and 100 kPa. The effects of adsorption heat and pressure on the adsorption capacity of four organometallic frameworks were further analyzed by Monte Carlo simulation. The simulation results are verified by experiments. The study reveals that unmodified UIO-66 achieves adsorption efficiencies over 67% for H2S, SO2, SO2F2, and SOF2, but less than 5% for N2O and CF4. After modification, the three metal-organic frameworks show a 41.02% average increase in adsorption capacity for N2O, H2S, SO2, SO2F2, SOF2, and CF4, and the adsorption capacity of SF6 was almost unchanged, which was beneficial to separation and recovery, with UIO-66-24Ti leading in N2O and CF4 adsorption enhancements at 86.55% and 67.06%, respectively. The experimental results show that the adsorption performance of UIO-66-50%Ti modified by doping Ti is obviously improved compared with that of pure UIO-66. Therefore, the modified organometallic architecture is favorable for the adsorption and purification of decomposition products in SF6/N2 gas mixture, which provides a theoretical basis for the development of adsorbents suitable for decomposition products in SF6/N2 gas mixture.

Key words: discharge decomposition products, molecular dynamics, Monte Carlo simulation, absorption, modified UIO-66, SF6/N2 gas mixtures, molecular simulation

摘要:

相比于纯SF6气体,SF6/N2混合气体GIS设备发生放电故障产生的分解产物更为复杂,使SF6/N2混合气体的净化处理难度增加。研究SF6/N2混合气体分解产物的吸附净化方法对其净化处理具有重要意义。设计搭建了电晕放电分解产物吸附实验平台,对SF6/N2混合气体及其分解产物进行定量分析,基于分子动力学理论分析改性前的有机金属框架UIO-66及改性后的3种有机金属框架(UIO-66-12Ti、UIO-66-24Ti、UIO-66-36Ti),通过Monte Carlo模拟进一步分析了吸附热及压力对吸附能力的影响,并通过实验验证模拟分析结论。研究结果表明:改性前UIO-66对分解产物H2S、SO2、SO2F2、SOF2气体的吸附率高于67%,对N2O、CF4气体的吸附率低于5%;改性后的3种有机金属框架对前述分解产物的吸附能力平均提高了41.02%,且对SF6的吸附能力提升微小,几乎无显著变化,有利于分离回收,其中UIO-66-24Ti对CF4、N2O气体吸附能力最强,分别提高了86.55%和67.06%。改性后有机金属框架有利于SF6/N2混合气体中分解产物的吸附净化,为开发适用于SF6/N2混合气体分解产物的吸附剂提供了理论基础。

关键词: 放电分解产物, 分子动力学, Monte Carlo模拟, 吸附, 改性UIO-66, SF6/N2混合气体, 分子模拟

CLC Number: