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The elastic collision cross-section is a key parameter in the study of inter-particle interactions, and it helps to reveal the microscopic mechanism of gas insulation. For this reason, based on the R -matrix theory, the elastic collision cross-sections of 24 gas molecules at 0–15 eV are calculated , and cross-section characteristic parameters of the lowest resonance state energy and its peak are extracted. Then the calculated and experimental values of SF6, CF2Cl2, and i-C3F7CN cross-sections are compared, and the low-energy cross-section data of i-C3F7CN at 0–1 eV are given. Furthermore the effects of Cl-substitution and carbon chain length on the cross-section parameters are analysed. Finally the correlation between cross-section characteristic parameters and insulation strength is investigated. The results show that the lowest shape resonance state energy for each molecule is in better agreement with the existing data within a mean square error of 0.181. For the F-substitution, the resonance energy gradually increases but the peak value gradually decreases, which the carbon chain extension is the opposite to: the resonance state energy gradually decreases but the peak value gradually increases. The lowest resonance energy and peak value are strongly related to the insulation strength. The lower its lowest resonance energy and the larger the corresponding peak value, the higher the molecular insulation strength is. The relevant data can theoretically supplement existing experimental data. This study provides low energy cross-section properties of various insulating gas molecules, which can be useful for qualitatively evaluating the insulating properties of gas molecules and quickly screening SF6 alternative gases.
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Keywords:
- insulation strength /
- R-matrix method /
- cross-section /
- resonances
[1] 满林坤, 邓云坤, 肖登明 2017 高电压技术 43 788
Google Scholar
Man L K, Deng Y K, Xiao D M 2017 High Voltage Eng. 43 788
Google Scholar
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Google Scholar
Tian S S, Zhang X X, Xiao S, Zhuo R, Wang D B, Deng Z T, Li Y 2018 Proc. CSEE 38 3125
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Hu S Z, Zhou W J, Zheng Y, Yu J H, Zhang T R, Wang L Z 2019 High Voltage Eng. 45 3562
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Zheng Y, Zhou W J, Zhu T Y, Ren S B, Yu J H 2023 High Voltage Eng. 49 946
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Zhang Z, Lin X, Yu W C, Xu J Y, Zhang J, Su Z X 2020 High Voltage Eng. 46 250
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[8] 王宝山, 余小娟, 侯华, 周文俊, 罗运柏 2020 电工技术学报 35 21
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Google Scholar
[9] 张闹闹, 杨帅, 刘关平, 王航, 肖集雄 2022 高电压技术 48 4323
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Zhang N N, Yang S, Liu G P, Wang H, Xiao J X 2022 High Voltage Eng. 48 4323
Google Scholar
[10] 刘关平, 杨帅, 张闹闹, 王航, 肖集雄 2022 高电压技术 48 2208
Google Scholar
Liu G P, Yang S, Zhang N N, Wang H, Xiao J X 2022 High Voltage Eng. 48 2208
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[12] 李鑫涛, 林莘, 徐建源, 李璐维, 陈会利 2017 电工技术学报 32 42
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[29] Thodika M, Mackouse N, Matsika S 2020 J. Phys. Chem. A 124 9011
Google Scholar
[30] Schulz G J 1973 Rev. Mod. Phys. 45 423
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[31] CCCBDB http://cccbdb.nist.gov [2024-9-25]
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Google Scholar
[34] Bach R D, Schlegel H B 2021 J. Phys. Chem. A. 125 5014
Google Scholar
[35] Goswami B, Antony B 2014 RSC Adv. 4 30953
Google Scholar
[36] Limao-Vieira P, Blanco F, Oller J C, Muñoz A, Pérez J M, Vinodkumar M, García G, Mason N J 2005 Phys. Rev. A 71 2720
Google Scholar
[37] Christophorou L G, Olthoff J K 2000 J. Phys. Chem. Ref. Data 29 267
Google Scholar
[38] Kennerlya R E, Bonham R A, McMillan M 1979 J. Chem. Phys. 70 2039
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[39] Makochekanwa C, Kimura M, Sueoka O 2004 Phys. Rev. A 70 022702
Google Scholar
[40] Dababneh M S, Hsieh Y F, Kauppila W E 1988 Phys. Rev. A 38 1207
Google Scholar
[41] Wang C L, Bridgette C, Wang Y, Sun H, Tennyson J 2021 J. Phys. B-At. Mol. Opt. 54 025202
Google Scholar
[42] 夏涵怡, 杨帅, 王航, 肖集雄 2023 高电压技术 49 4563
Google Scholar
Xia H Y, Yang S, Wang H, Xiao J X 2023 High Voltage Eng. 49 4563
Google Scholar
[43] Christophorou L G, Olthoff J K, Wang Y 2009 J. Phys. Chem. Ref. Data 26 1205
Google Scholar
[44] Jones R K 1986 J. Chem. Phys. 84 813
Google Scholar
[45] Underwood-Lemons T, Winkler D C, Tossell J A, Moore J H 1994 J. Chem. Phys. 100 9117
Google Scholar
[46] Zhang J W, Sinha N, Jiang M, Wang H G, Li Y D, Antony B, Liu C L 2022 IEEE T. Dielect. El. In. 29 1005
Google Scholar
[47] Hitchcock A P, Tronc M, Modelli A 1989 J. ChemInform. 20 3068
Google Scholar
[48] Devins J 1980 IEEE T. El. In. 15 81
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[49] Sanche L, Schulz G J 1973 J. Chem. Phys. 58 479
Google Scholar
[50] Berman M, Hernan E, Cederbaum L S 1983 Phys. Rev. A 28 1363
Google Scholar
[51] Ehrhardt H, Langhans L, Linder F 1968 Phys. Rev. 173 222
Google Scholar
[52] Hien X P, Jeon B, Tuan A D 2013 J. Phys. Soc. Jap. 82 03430
Google Scholar
[53] Ishii I, McLaren R, Hitchcock A P 1988 Can. J. Chem. 66 2104
Google Scholar
[54] Thynne J C J, Harland P W 1973 Int. J. Mass Spectrom 11 399
Google Scholar
[55] Burrow P D, Modelli A, Chiu N S 1982 J. Chem. Phys. 77 2699
Google Scholar
[56] Jordan D K, Burrow D P 1987 Chem. Rev. 87 557
Google Scholar
[57] Harland P W, Thynne J C J 1957 Int. J. Mass Spectrom 10 11
Google Scholar
[58] Fieller E C, Hartley H O, Pearson E S 1957 Biometrika 44 470
Google Scholar
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表 1 0—1.0 eV范围i-C3F7CN的碰撞截面
Table 1. Collision cross-section of i-C3F7CN in the range of 0–1.0 eV.
能量/eV 碰撞截面/
(10–16 cm2)能量/eV 碰撞截面/
(10–16 cm2)0.01 658.58 0.40 71.53 0.03 227.43 0.45 64.89 0.05 143.86 0.50 62.12 0.07 106.45 0.55 59.14 0.09 88.12 0.60 57.83 0.10 84.86 0.65 55.08 0.12 95.24 0.70 52.86 0.15 230.07 0.75 52.25 0.16 262.53 0.80 51.21 0.17 241.62 0.85 49.85 0.19 179.53 0.90 49.37 0.21 135.73 0.95 48.59 0.23 115.26 1.00 47.95 0.25 105.81 1.05 47.36 0.27 94.79 1.10 49.97 0.30 90.09 1.14 83.43 0.35 79.55 1.15 71.23 表 2 基于R矩阵计算的分子碰撞截面特征参数与分子相对绝缘强度数据
Table 2. Characteristic parameters of molecular cross-sections based on R-matrix method and relative insulating strength.
分子 最低共振态
位置/eV实验值或
计算值/eV峰值/
(10–16 cm2)Er 分子 最低共振态
位置/eV实验值或
计算值/eV峰值/
(10–16 cm2)Er CO2 3.33 3.14[49] 35.08 0.35 CF4 8.02 8.87[44] 27.67 0.41 N2 1.81 2.32[50] 65.81 0.38 C2F6 4.90 4.60[53] 39.10 0.78 CO 1.62 1.50[51] 73.01 0.40 C3F8 3.73 3.34[53] 51.50 0.98 BF3 3.46 3.88[52] 22.23 0.40 C4F10 2.81 2.37[53] 68.10 1.36 N2O 1.03 2.34[49] 100.21 0.47 C5F12 1.68 1.64[53] 76.69 1.75 SF6 0.72 0.85[42] 60.66 1.00 SO2 4.40 2.87[49] 19.88 1.00 i-C3F7CN 0.16 0.14[42] 262.53 2.20 CFCl3 0.20 0.26[42] 241.77 1.72 CF3Cl 1.65 2.00[44] 47.67 0.53 CF2Cl2 0.96 1.02[42] 63.59 1.10 CCl4 0.12 ~0.0[43] 306.07 2.36 CH3CN 2.73 2.82[47] 64.72 0.80 C2F5CN 0.69 1.40[54] 109.81 2.18 CH2Cl2 0.98 1.23[55] 81.98 0.60 CH3Cl 3.14 3.45[55] 33.96 0.31 CHCl3 0.33 0.35[55] 184.43 1.67 C2H2 2.65 2.60[56] 54.70 0.42 c-C4F8 0.55 0.45[57] 73.36 1.25 -
[1] 满林坤, 邓云坤, 肖登明 2017 高电压技术 43 788
Google Scholar
Man L K, Deng Y K, Xiao D M 2017 High Voltage Eng. 43 788
Google Scholar
[2] 田双双, 张晓星, 肖淞, 卓然, 王邸博, 邓载韬, 李祎 2018 中国电机工程学报 38 3125
Google Scholar
Tian S S, Zhang X X, Xiao S, Zhuo R, Wang D B, Deng Z T, Li Y 2018 Proc. CSEE 38 3125
Google Scholar
[3] 胡世卓, 周文俊, 郑宇, 喻剑辉, 张天然, 王凌志 2019 高电压技术 45 3562
Google Scholar
Hu S Z, Zhou W J, Zheng Y, Yu J H, Zhang T R, Wang L Z 2019 High Voltage Eng. 45 3562
Google Scholar
[4] 熊嘉宇, 张博雅, 李兴文, 杨韬, 徐宁 2021 中国电机工程学报 41 759
Google Scholar
Xiong J Y, Zhang B Y, Li X W, Yang T, Xu N 2021 Proc. CSEE 41 759
Google Scholar
[5] 郑宇, 周文俊, 朱太云, 任书波, 喻剑辉 2023 高电压技术 49 946
Google Scholar
Zheng Y, Zhou W J, Zhu T Y, Ren S B, Yu J H 2023 High Voltage Eng. 49 946
Google Scholar
[6] 宋佳洁, 李晓昂, 吕玉芳, 袁勰雨, 张乔根, 苏镇西 2020 高电压技术 46 1372
Google Scholar
Song J J, Li X A, Lü Y F, Yuan X Y, Zhang Q G, Su Z X 2020 High Voltage Eng. 46 1372
Google Scholar
[7] 张震, 林莘, 余伟成, 徐建源, 张佳, 苏镇西 2020 高电压技术 46 250
Google Scholar
Zhang Z, Lin X, Yu W C, Xu J Y, Zhang J, Su Z X 2020 High Voltage Eng. 46 250
Google Scholar
[8] 王宝山, 余小娟, 侯华, 周文俊, 罗运柏 2020 电工技术学报 35 21
Google Scholar
Wang B S, Yu X J, Hou H, Zhou W J, Luo Y B 2020 Trans. Chin. Electr. Soc. 35 21
Google Scholar
[9] 张闹闹, 杨帅, 刘关平, 王航, 肖集雄 2022 高电压技术 48 4323
Google Scholar
Zhang N N, Yang S, Liu G P, Wang H, Xiao J X 2022 High Voltage Eng. 48 4323
Google Scholar
[10] 刘关平, 杨帅, 张闹闹, 王航, 肖集雄 2022 高电压技术 48 2208
Google Scholar
Liu G P, Yang S, Zhang N N, Wang H, Xiao J X 2022 High Voltage Eng. 48 2208
Google Scholar
[11] Zhang X Y, Yang S, Liu G P, Wu R, Wu S B 2023 J. Mol. Model. 29 224
Google Scholar
[12] 李鑫涛, 林莘, 徐建源, 李璐维, 陈会利 2017 电工技术学报 32 42
Google Scholar
Li X T, Lin S, Xu J Y, Li L W, Chen H L 2017 Trans. Chin. Electr. Soc. 32 42
Google Scholar
[13] 孙安邦, 李晗蔚, 许鹏, 张冠军 2017 物理学报 66 195101
Google Scholar
Sun A B, Li H W, Xu P, Zhang G J 2017 Acta Phys. Sin. 66 195101
Google Scholar
[14] Lucchese R R, Gianturco F A 1996 Int. Rev. Phys. Chem. 15 429
Google Scholar
[15] Berrington K A, Eissner W B, Norrington P H 1995 Comput. Phys. Commun. 92 290
Google Scholar
[16] Burke P G, Noble C J, Burke V M 2006 Adv. Atom. Mol. Opt. Phy. 54 237
Google Scholar
[17] Schneider B I, Rescigno T N 1988 Phys. Rev. A 37 3749
Google Scholar
[18] Takatsuka T, McKoy V 1981 Phys. Rev. A 24 2473
Google Scholar
[19] Meyer H D 1994 Chem. Phys. Lett. 223 465
Google Scholar
[20] Wang K D, Meng J, Liu Y F, Sun J F 2015 J. Phys. B-At. Mol. Opt. 48 155202
Google Scholar
[21] Epée E D M, Motapon O, Darby-Lewis D, Tennyson J 2017 J. Phys. B-At. Mol. Opt. 50 115203
Google Scholar
[22] Alexandra L, Jimena D G 2019 J. Chem. Phys. 150 064307
Google Scholar
[23] Carr J M, Galiatsatos P G, Gorfinkiel J D, Harvey A G, Lysaght M A, Madden D, Mašín Z, Plummer M, Tennyson J, Varambhia H N 2012 Eur. Phys. J. D 66 58
Google Scholar
[24] Tennyson J 2010 Phys. Rep. 491 29
Google Scholar
[25] Wigner E P 1946 Phys. Rev. 70 15
Google Scholar
[26] Burke P G, Hibbert A, Robb W D 1971 J. Phys. B-At Mol. Opt. 4 153
Google Scholar
[27] Bai J Z, Ban Y, Bian J G, Cai X, Chang J F, Chen H F, Chen H S, Chen J, Chen J, Chen J C, Chen Y B, Chi S P 2003 Phys. Rev. Lett. 91 022001
Google Scholar
[28] Fabrikant I I, Eden S, Mason N J 2017 Adv. Atom. Mol. Opt. Phy. 66 545
Google Scholar
[29] Thodika M, Mackouse N, Matsika S 2020 J. Phys. Chem. A 124 9011
Google Scholar
[30] Schulz G J 1973 Rev. Mod. Phys. 45 423
Google Scholar
[31] CCCBDB http://cccbdb.nist.gov [2024-9-25]
[32] Frisch M J, Trucks G W, Schlegel H B 2017 Gaussian 16 Users Reference (Wallingford USA: Gaussian) pp33–57
[33] Chen R, Zhang L, Luo X L, Liang G M 2021 Comput. Theor. Chem. 1203 11348
Google Scholar
[34] Bach R D, Schlegel H B 2021 J. Phys. Chem. A. 125 5014
Google Scholar
[35] Goswami B, Antony B 2014 RSC Adv. 4 30953
Google Scholar
[36] Limao-Vieira P, Blanco F, Oller J C, Muñoz A, Pérez J M, Vinodkumar M, García G, Mason N J 2005 Phys. Rev. A 71 2720
Google Scholar
[37] Christophorou L G, Olthoff J K 2000 J. Phys. Chem. Ref. Data 29 267
Google Scholar
[38] Kennerlya R E, Bonham R A, McMillan M 1979 J. Chem. Phys. 70 2039
Google Scholar
[39] Makochekanwa C, Kimura M, Sueoka O 2004 Phys. Rev. A 70 022702
Google Scholar
[40] Dababneh M S, Hsieh Y F, Kauppila W E 1988 Phys. Rev. A 38 1207
Google Scholar
[41] Wang C L, Bridgette C, Wang Y, Sun H, Tennyson J 2021 J. Phys. B-At. Mol. Opt. 54 025202
Google Scholar
[42] 夏涵怡, 杨帅, 王航, 肖集雄 2023 高电压技术 49 4563
Google Scholar
Xia H Y, Yang S, Wang H, Xiao J X 2023 High Voltage Eng. 49 4563
Google Scholar
[43] Christophorou L G, Olthoff J K, Wang Y 2009 J. Phys. Chem. Ref. Data 26 1205
Google Scholar
[44] Jones R K 1986 J. Chem. Phys. 84 813
Google Scholar
[45] Underwood-Lemons T, Winkler D C, Tossell J A, Moore J H 1994 J. Chem. Phys. 100 9117
Google Scholar
[46] Zhang J W, Sinha N, Jiang M, Wang H G, Li Y D, Antony B, Liu C L 2022 IEEE T. Dielect. El. In. 29 1005
Google Scholar
[47] Hitchcock A P, Tronc M, Modelli A 1989 J. ChemInform. 20 3068
Google Scholar
[48] Devins J 1980 IEEE T. El. In. 15 81
Google Scholar
[49] Sanche L, Schulz G J 1973 J. Chem. Phys. 58 479
Google Scholar
[50] Berman M, Hernan E, Cederbaum L S 1983 Phys. Rev. A 28 1363
Google Scholar
[51] Ehrhardt H, Langhans L, Linder F 1968 Phys. Rev. 173 222
Google Scholar
[52] Hien X P, Jeon B, Tuan A D 2013 J. Phys. Soc. Jap. 82 03430
Google Scholar
[53] Ishii I, McLaren R, Hitchcock A P 1988 Can. J. Chem. 66 2104
Google Scholar
[54] Thynne J C J, Harland P W 1973 Int. J. Mass Spectrom 11 399
Google Scholar
[55] Burrow P D, Modelli A, Chiu N S 1982 J. Chem. Phys. 77 2699
Google Scholar
[56] Jordan D K, Burrow D P 1987 Chem. Rev. 87 557
Google Scholar
[57] Harland P W, Thynne J C J 1957 Int. J. Mass Spectrom 10 11
Google Scholar
[58] Fieller E C, Hartley H O, Pearson E S 1957 Biometrika 44 470
Google Scholar
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