Journal of Inorganic Materials, Volume. 39, Issue 11, 1235(2024)
Figures & Tables(11)
1. Comparison of pyrolysis experimental data with simulations of CH4+C2H5OH+Ar system
Table 1. Simplified pyrolysis mechanism of CH4+C2H5OH+Ar system
View tableView in ArticleTable 1. Simplified pyrolysis mechanism of CH4+C2H5OH+Ar system
No. Reaction *A n E/(kJ·mol-1) 1 C2H4+M<=>H+C2H3+M 3.98×1017 0 411.144 2 H+C2H4<=>H2+C2H3 1.32×107 2.5 47.168 3 H+H+M<=>H2+M 1.0 0 0 4 CH4+M<=>H+CH3+M 1.0×1017 0 359.232 5 CH3+C2H4<=>CH4+C2H3 5.0×1012 0 54.428 6 H2+CH3<=>H+CH4 2.75×104 2.5 39.435 7 2CH3+M<=>C2H6+M 3.08×1041 -7.0 11.568 8 CH3+CH4<=>H+C2H6 8.0×1013 2.0 167.472 9 C2H5<=>H+C2H4 2.04×1015 0 144.713 10 C2H6<=>H+C2H5 2.08×1038 -7.1 445.928 11 2CH3<=>H+C2H5 3.01×1013 0 56.576 12 CH3+CH4<=>H2+C2H5 1.0×1013 0 96.296 13 H+C2H5<=>H2+C2H4 2.0×1012 0 0 14 2C2H4<=>C2H3+C2H5 1.82×1014 0 270.183 15 C2H3+C2H6<=>C2H4+C2H5 1.08×10-3 4.5 14.653 16 H+C2H6<=>H2+C2H5 5.4×102 3.5 21.813 17 CH3+C2H6<=>CH4+C2H5 5.5×10-1 4.0 37.757 18 H+C3H6<=>CH3+C2H4 3.4×1013 0 14.650 19 C3H6<=>CH3+C2H3 2.5×1014 0 417.378 20 C2H4+M<=>H2+C2H2+M 8.0×1012 0.4 371.641 21 H+C2H3<=>H2+C2H2 3.0×1013 0 0 22 C3H6<=>CH4+C2H2 1.8×1012 0 293.076 23 C2H3+M<=>H+C2H2+M 7.94×1014 0 130.088 24 2H+H2<=>2H2 9.0×1016 -0.6 0 25 CH3+C2H3<=>CH4+C2H2 2.0×1013 0 0 26 2H+H2O<=>H2+H2O 6.0×1019 -1.25 0 27 H2O+C2H4(+M)<=>C2H5OH(+M) 1.0×100 0 0 28 2C2H5<=>C2H4+C2H6 6.9×1013 -0.35 0 29 2C2H3<=>C2H2+C2H4 2.9597×1013 -0.312 0 30 CH3+C2H5<=>CH4+C2H4 6.57×1014 -0.68 0 31 C2H3+C2H5<=>C2H2+C2H6 2.1064×1013 -0.251 0 32 CH3+CH2OH(+M)<=>C2H5OH(+M) 1.0 0 0 33 CH3+CH2OH(+M)<=>H2O+C2H4(+M) 1.0 0 0 34 C2H5OH(+M)<=>H2+CH3CHO(+M) 7.24×1011 0.095 381.028 35 HCO+CH3(+M) <=>CH3CHO(+M) 1.0 0 0 36 H+HCO<=>H2+CO 7.34×1013 0 0 37 HCO+CH3<=>CO+CH4 2.648×1013 0 0 38 H2O+HCO<=>H+H2O+CO 1.5×1018 -1.0 71.176 39 H+CH3CHO<=>H2+CO+CH3 2.05×109 1.16 10.069 40 CH3+CH3CHO<=>CO+CH3+CH4 2.72×106 1.77 24.786 41 HCO+M<=>CO+H+M 1.87×1017 -1.0 71.176 42 CH3CHO(+M)<=>CO+CH4(+M) 1.0 0 0 43 HCO+C2H3<=>CO+C2H4 9.033×1013 0 0 44 HCO+C2H5<=>CO+C2H6 4.3×1013 0 0
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Yongjie MA, Yongsheng LIU, Kang GUAN, Qingfeng ZENG.
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Received: Apr. 1, 2024
Accepted: --
Published Online: Jan. 21, 2025
The Author Email: GUAN Kang (mskguan@scut.edu.cn), ZENG Qingfeng (bht0045@tmslab.cn)
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