Skip to main content
SpringerLink
Log in

Influence Mechanism of O2/H2O Adsorption on Cu(111) Surface on SF6 Overheating Failure Decomposition

  • Original Paper
  • Published:
Plasma Chemistry and Plasma Processing Aims and scope Submit manuscript

Abstract

In gas-insulated equipment, the decomposition of SF6 is closely related to the residual traces of O2 and H2O in the equipment. However, the decomposition mechanism has not yet been clarified. In this paper, the adsorption and defluorination of SF6 on the preadsorbed Cu(111) surface were calculated based on density flooding theory and transition state theory. Besides, the influence mechanism of O atoms and H2O molecules on the defluorination process is analyzed by comparing the energy barrier, reaction heat, and density of states. The results show that pre-adsorption of O atoms changes the adsorption sites of SFx, but has no significant effect on the adsorption energy. In addition, the O atom has a certain inhibitory effect on the decomposition process, and SF → S + F is the key to determining the reaction rate. In contrast, H2O will not only promote the adsorption of SFx to the surface but also reduce the total reaction heat of the decomposition reaction by 135.37 kcal·mol−1, driving the decomposition process of SF6. In this paper, stable co-adsorption configurations of low-fluorosulfide and co-adsorption groups were determined, and the effects of O and H2O preadsorption on SF6/Cu gas–solid interactions were initially revealed.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7
Fig. 8
Fig. 9

Similar content being viewed by others

Data Availability

The data that support the findings of this study are available upon reasonable request from the authors.

References

  1. Chu FY (1986) SF6 decomposition in gas-insulated equipment. IEEE Trans Electr Insul EI-21:693–725

    Article  CAS  Google Scholar 

  2. Ma J, Zhang Q, You H, Wu Z, Wen T, Guo C, Wang G, Gao C (2017) Study on insulation characteristics of GIS under combined voltage of DC and lightning impulse. IEEE Trans Dielectr Electr Insul 24:893–900

    Article  CAS  Google Scholar 

  3. Zargar ZH, Akram KJ, Biswal GR, Islam T (2021) A linear polar sensor for ppm hydro measurement in SF6 gas-insulated switchgear. IEEE Trans Instrum Meas 70:1–8

    Article  Google Scholar 

  4. Zeng FP, Li HT, Cheng HT, Liu YL (2021) SF6 decomposition and insulation condition monitoring of GIE: a review. High Volt 6(6):955–966

    Article  Google Scholar 

  5. Zeng FP, Zhu KX, Feng XX, Li HT, Tang J, Zhang SL (2022) Adsorption characteristics of SF6 and its main over-thermal decomposition components on Ag (111) surface. IEEE Trans Dielectr Electr Insul 29(2):551–558

    Article  CAS  Google Scholar 

  6. Tang J, Rao XJ, Zeng FP, Cai W, Chen L, Zhang CH (2017) Influence mechanisms of trace H2O on the generating process of SF6 spark discharge decomposition components. Plasma Chem Plasma Process 37:325–340

    Article  CAS  Google Scholar 

  7. Zhong LP, Liu K, Ji SC, Wang F, Sun QQ, Chen S, Liu J (2020) Effects of voltage forms, pressure, and adsorbent on the SF6 decomposition characteristics under corona discharge. IET Sci Meas Technol 14(4):486–493

    Article  Google Scholar 

  8. Cui ZL, Zhang XX, Yuan T, Pan XY, Luo Y, Tang J (2020) Plasma-assisted abatement of SF6 in a dielectric barrier discharge reactor: investigation of the effect of packing materials. J Phys D Appl Phys 53(2):025205

    Article  CAS  Google Scholar 

  9. Yashdeep Y, Biswal GR, Choudhury T, Islam T, Mukhopadhyay SC, Vashisht V (2017) Design and modeling of MEMS-based trace-level moisture measurement system for GIS applications in smart grid environment. IEEE Sens J 17:7758–7766

    Article  CAS  Google Scholar 

  10. Liu H, Wang J, Wang JR, Hu Q, Chang YN, Li QM (2020) Study on pyrolysis characteristics of SF6 in a trace-oxygen (O2) environment: ReaxFFSFO force field optimization and reactive molecular dynamics simulation. ACS Omega 5(41):26518–26526

    Article  CAS  Google Scholar 

  11. Zeng FP, Li HT, Zhang MX, Li C, Yao Q, Tang J (2021) Establishment of a Reax force field to study SF6 gas over-thermal decomposition. J Phys D 54(11):115501

    Article  CAS  Google Scholar 

  12. Zeng FP, Li HT, Zhang MX, Li C, Zhu KX, Tang J (2021) Kinetic analysis of the effect of O2 on SF6 over-thermal decomposition. J Phys D 54(49):495502

    Article  CAS  Google Scholar 

  13. Li HT, Zeng FP, Zhang MX, Zhu KX, Yao Q, Wei G, Ma GM, Tang J (2022) Isotope tracing experiment on the mechanism of O2 on the over-thermal decomposition of SF6. Plasma Chem Plasma Process 42:505–518

    Article  CAS  Google Scholar 

  14. Fu YW, Rong MZ, Yang K, Yang AJ, Wang XH, Gao QQ, Liu DX, Murphy AB (2016) Calculated rate constants of the chemical reactions involving the main byproducts SO2F, SOF2, SO2F2 of SF6 decomposition in power equipment. J Phys D Appl Phys 49(15):155502

    Article  Google Scholar 

  15. Fu YW, Wang XH, Wang XX, Yang AJ, Rong MZ (2020) The decomposition pathways of SF6 in the presence of organic insulator vapors. Plasma Chem Plasma Process 40:449–467

    Article  CAS  Google Scholar 

  16. Zhong LP, Ji SC, Wang F, Sun QQ, Chen S, Liu J, Hai B, Tang L (2019) Theoretical study of the chemical decomposition mechanism and model of sulfur hexafluorid (SF6) under corona discharge. J Fluor Chem 220:61–68

    Article  CAS  Google Scholar 

  17. Ge JY, Dai JQ, Zhang JZH (1999) Dissociative adsorption of O2 on Cu(110) and Cu(100): three-dimensional quantum dynamics studies. J Phys Chem 100:11432–11437

    Article  Google Scholar 

  18. Zhao J, Qin P, Fang T (2018) Mechanism of ammonia decomposition on clean and oxygen-covered Cu(111) surface: a DFT study. Phys Chem 8:055215

    Google Scholar 

  19. Jiang Z, Fang T (2016) Insight into the promotion effect of pre-covered X (C, N and O) atoms on the dissociation of water on Cu(111) surface: a DFT study. Appl Surf Sci 376:219–226

    Article  CAS  Google Scholar 

  20. Bai MB, Chen J, Feng ZT (2022) Density functional theory study on the decomposition mechanism of HFC-32 on a Cu(111) surface: the impact of H2O and O2. J Mol Liq 345(15):118027

    Article  Google Scholar 

  21. Zeng FP, Tang J, Fan QT, Pan JY, Zhang XX, Yao Q, He JJ (2014) Decomposition characteristics of SF6 under thermal fault for temperature below 400°C. IEEE Trans Dielectr Electr Insul 21(3):995–1004

    Article  CAS  Google Scholar 

  22. Monterroso R, Fan MH, Argyle M (2011) Chapter 9—mercury removal. In: David AB, Brian FT, Fan MH (eds) Coal gasification and its applications. William Andrew Publishing, pp 247–292

    Chapter  Google Scholar 

  23. Pisarev AA (2012) 1-Hydrogen adsorption on the surface of metals. In: Richard PG, Brian PS (eds) In Woodhead publishing series in metals and surface engineering, gaseous hydrogen embrittlement of materials in energy technologies, vol 1. Woodhead Publishing, pp 3–26

    Google Scholar 

  24. Wan YC, Xu JC, Lv RT (2019) Heterogeneous electrocatalysts design for nitrogen reduction reaction under ambient conditions. Mater Today 27:69–90

    Article  CAS  Google Scholar 

  25. Delley B (2000) From molecules to solids with the DMol3 approach. J Chem Phys 113(18):7756–7764

    Article  CAS  Google Scholar 

  26. Delley B (1990) An all-electron numerical method for solving the local density functional for polyatomic molecules. J Chem Phys 92(1):508–517

    Article  CAS  Google Scholar 

  27. Hammer B, Hansen LB, Nørskov JK (1999) Improved adsorption energetics within density-functional theory using revised Perdew–Burke–Ernzerhof functionals. Phys Rev B 59:7413

    Article  Google Scholar 

  28. Zhang Y, Yang W (1998) Comment on ‘‘Generalized gradient approximation made simple”. Phys Rev Lett 80:890

    Article  CAS  Google Scholar 

  29. Perdew J, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865

    Article  CAS  Google Scholar 

  30. Delley B (2002) Hardness conserving semilocal pseudopotentials. Phys Rev B 66(15):155125

    Article  Google Scholar 

  31. Monkhorst HJ, Pack JD (1976) Special points for Brillouin-zone integrations. Phys Rev B 13:5188

    Article  Google Scholar 

  32. Huo E, Liu C, Xu X, Li Q, Dang C (2018) Dissociation mechanisms of HFO-1336mzz (Z) on Cu(111), Cu(1 1 0) and Cu(1 0 0) surfaces: a density functional theory study. Appl Surf Sci 443:389–400

    Article  CAS  Google Scholar 

  33. Zhao J, Qin P, Fang T (2017) Decomposition mechanism of formic acid on Cu(111) surface: a theoretical study. Appl Surf Sci 396:857–864

    Article  Google Scholar 

  34. Halgren TA, Lipscomb WN (1977) Chem Phys Lett 49:225

    Article  CAS  Google Scholar 

  35. Zhao J, Fang T (2016) Dissociation mechanism of H2O on clean and oxygen-covered Cu(111) surfaces: a theoretical study. Vacuum 128:252–258

    Article  Google Scholar 

  36. Houska J, Kozak T (2017) Relationships between the distribution of O atoms on partially oxidized metal (Al, Ag, Cu, Ti, Zr, Hf) surfaces and the adsorption energy: a density-functional theory study. J Appl Phys 121:225303

    Article  Google Scholar 

  37. Zhang R, Duan T, Ling L, Wang B (2015) CH4 dehydrogenation on Cu(111), Cu@Cu (111), Rh@Cu(111) and RhCu(111) surfaces: a comparison studies of catalytic activity. Appl Surf Sci 341:100–108

    Article  CAS  Google Scholar 

Download references

Acknowledgements

This work was supported by the National Natural Science Foundation of China (Grant No. 51877157) and the Hubei Province Science Fund for Distinguished Young Scholars (Grant No. 2020CFA097).

Author information

Authors and Affiliations

  1. School of Electrical and Automation, Wuhan University, Wuhan, 430072, China

    Fuping Zeng, Zhu Kexin, Dazhi Su, Xiaoxuan Feng, Xinnuo Guo & Ju Tang

  2. Hubei Key Laboratory of Power Equipment and System Security for Integrated Energy Resources, Wuhan, 430072, China

    Fuping Zeng & Ju Tang

  3. State Grid Chongqing Electric Power Company Electric Power Research Institute, Chongqing, 401123, China

    Qiang Yao

  4. State Key Laboratory of Power Transmission Equipment and System Security, Chongqing University, Chongqing, 400044, China

    Ju Tang

Authors
  1. Fuping Zeng
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Zhu Kexin
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Dazhi Su
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Xiaoxuan Feng
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Xinnuo Guo
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Qiang Yao
    View author publications

    You can also search for this author in PubMed Google Scholar

  7. Ju Tang
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Fuping Zeng.

Ethics declarations

Conflict of interest

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Rights and permissions

Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Zeng, F., Kexin, Z., Su, D. et al. Influence Mechanism of O2/H2O Adsorption on Cu(111) Surface on SF6 Overheating Failure Decomposition. Plasma Chem Plasma Process 43, 67–80 (2023). https://doi.org/10.1007/s11090-022-10305-8

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11090-022-10305-8

Keywords

Search

Navigation