• Spectroscopy and Spectral Analysis
  • Vol. 42, Issue 5, 1522 (2022)
Hua YAN1、1;, Xing-hua LIU2、2;, Yong DING3、3;, Zhi ZHAO1、1;, Yong-feng LUO1、1;, Yu-hong WU1、1;, Peng YAN1、1;, Lu DONG1、1;, and Da-xi WANG4、4;
Author Affiliations
  • 11. Academe of the Rocket Force, Beijing 100094, China
  • 22. School of Science, Hainan University, Haikou 570228, China
  • 33. Sichuan Honghua Industry Limited, The Second Branch, Emeishan 614200, China
  • 44. College of Science, the Petroleum University of China, Beijing 102200, China
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    DOI: 10.3964/j.issn.1000-0593(2022)05-1522-07 Cite this Article
    Hua YAN, Xing-hua LIU, Yong DING, Zhi ZHAO, Yong-feng LUO, Yu-hong WU, Peng YAN, Lu DONG, Da-xi WANG. Instantaneous Emission Spectra and Mechanism Study on the Reaction of ClF3O and n-Decane[J]. Spectroscopy and Spectral Analysis, 2022, 42(5): 1522 Copy Citation Text show less
    Transient spectral measurement system
    Fig. 1. Transient spectral measurement system
    The CH emission spectrum produced by the reaction of ClF3O and n-decane in the absence of oxygen
    Fig. 2. The CH emission spectrum produced by the reaction of ClF3O and n-decane in the absence of oxygen
    The C2 emission spectrum produced by the reaction of ClF3O and n-decane in the absence of oxygen
    Fig. 3. The C2 emission spectrum produced by the reaction of ClF3O and n-decane in the absence of oxygen
    The CH emission spectrum produced by the reaction of ClF3O and n-decane in the presence of oxygen
    Fig. 4. The CH emission spectrum produced by the reaction of ClF3O and n-decane in the presence of oxygen
    The OH emission spectrum produced by the reaction of ClF3O and n-decane in the presence of oxygen
    Fig. 5. The OH emission spectrum produced by the reaction of ClF3O and n-decane in the presence of oxygen
    The C2 emission spectrum produced by the reaction of ClF3O and n-decane in the aerobics
    Fig. 6. The C2 emission spectrum produced by the reaction of ClF3O and n-decane in the aerobics
    The initial action model of ClF3O and n-decane
    Fig. 7. The initial action model of ClF3O and n-decane
    The transition state of the first step reaction of ClF3O and n-decane
    Fig. 8. The transition state of the first step reaction of ClF3O and n-decane
    The reaction mechanism of ClF3O and n-decane in the absence of oxygen
    Fig. 9. The reaction mechanism of ClF3O and n-decane in the absence of oxygen
    The reaction mechanism of ClF3O and n-decane in the presence of oxygen
    Fig. 10. The reaction mechanism of ClF3O and n-decane in the presence of oxygen
    自由基电子跃迁类型波长/nm; 强度/Strong; Medium; Weak
    C2A3Пg-X3Пu436.2 M; 469.5 M; 471.3 M; 473.6 M
    516.3 S; 512.7 S
    554.1 M; 555.8 M; 563.6 M
    CHC2Σ--X2П314.4 S
    B2Σ--X2П387.7 M; 389.5 M
    A2Δ-X2П431.4 S
    OHA2Σ+-X2Пi281.5 W; 282.9 W
    302.6 W; 306.8 S; 309.5 S
    Table 1. Emission peak attribution of the reaction of ClF3O and n-decane
    反应途径ΔH/(kJ·mol-1)
    ClOF3+C10H22→C10H21F+ClOF+HF-309.24
    ClOF→ClO+F27.14
    ClO→Cl+O134.62
    C10H21F+F→HF+C10H20F-15.93
    C10H20F→C6H11F+C4H995.34
    C4H9→C2H5+C2H4101.84
    C6H11F+Cl→C6H10F+HCl114.13
    C6H10F→C2H5+C4H5F31.72
    C2H5+O→C2H4+OH-171.51
    C2H5→C2H4+H132.99
    C4H5F+OH→C4H4F+H2O97.31
    C4H4F→C2H2+C2H2F117.47
    C2H2F→F+C2H281.66
    C2H4+H→CH4+CH275.89
    2CH+2F→2HF+C2-904.26
    ClOF3+C10H22→HCl+C2H4+
    2C2H2+2CH4+3HF+C2+H2O
    511.56
    Table 2. The thermal effect of the reaction of ClF3O and n-decane in the absence of Oxygen
    反应途径ΔH/(kJ·mol-1)
    ClOF3+C10H22→C10H21F+BF3+ClOF+HF-309.24
    ClOF→ClO+F27.14
    ClO→Cl+O134.62
    C10H21F +F→HF+C10H20F-15.93
    C10H20F→C6H11F+C4H9109.94
    C6H11F+Cl→C6H10F+HCl49.39
    C6H10F→C2H5+C4H5F80.96
    C4H9+O2→C4H9OO-83.72
    C4H9OO→CH3CH2CH2CHOOH54.36
    CH3CH2CH2CHOOH→C3H7CHO+OH-127.30
    C3H7CHO+HOO→C3H7CO+H2O212.73
    C3H7CO+O→C3H7COO-319.37
    C3H7COO→CO2+C3H7-82.65
    C3H7+O2→C3H6+HOO19.46
    C3H6+O→C3H5+OH75.04
    C3H5+O2→C3H5OO-40.34
    C3H5OO→C3H4+HOO135.18
    C3H4+O2→CH3+HCO+CO-181.41
    CH3+O2→OH+HCHO-121.42
    HOO→H+O2102.82
    H+O2→OH+O74.13
    C2H5+O2→C2H4+HOO30.18
    C2H4+ OH→C2H3+H2O58.42
    C2H3+O2→HCHO+HCO-291.54
    C2H3→C2H2+H82.24
    HCO+O2→HCO3-101.40
    HCO3→CO2+OH-233.22
    C4H5F+OH→H2O+C4H4F97.31
    C4H4F→C2H2+C2H2F117.47
    C2H2+O2→HCHO+CO-353.25
    C2H2+OH→C2H+H2O168.40
    C2H+O→CO+CH-250.96
    C2H+O2→CO2+CH-301.61
    C2H2F→F+C2H281.66
    OH+HOO→H2O+O2-920.95
    HCHO+O2→CO2+H2O-390.49
    2CH+2F→2HF+C2-904.26
    CH+O2→CO+OH-610.53
    C2+O2→2CO-939.52
    ClOF3+C10H22+8O2→3HF+HCl+4CO+
    2CO2+5H2O+2C2H2+2H2O2
    -1739.10
    Table 3. The thermal effect of the reaction of ClF3O and n-decane in the presence of Oxygen
    Hua YAN, Xing-hua LIU, Yong DING, Zhi ZHAO, Yong-feng LUO, Yu-hong WU, Peng YAN, Lu DONG, Da-xi WANG. Instantaneous Emission Spectra and Mechanism Study on the Reaction of ClF3O and n-Decane[J]. Spectroscopy and Spectral Analysis, 2022, 42(5): 1522
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