引用本文:
陈德展, 居冠之. OH+C2H2与OH+C2H4加成反应的热力学和动力学[J]. 物理化学学报,
1992, 8(02): 236-239.
doi:
10.3866/PKU.WHXB19920218
Citation: Chen De-Zhan, Ju Guan-Zhi. Thermodynamic and Kinetic Study on Reactions OH+C2H2 and OH+C2H4[J]. Acta Physico-Chimica Sinica, 1992, 8(02): 236-239. doi: 10.3866/PKU.WHXB19920218
Citation: Chen De-Zhan, Ju Guan-Zhi. Thermodynamic and Kinetic Study on Reactions OH+C2H2 and OH+C2H4[J]. Acta Physico-Chimica Sinica, 1992, 8(02): 236-239. doi: 10.3866/PKU.WHXB19920218
OH+C2H2与OH+C2H4加成反应的热力学和动力学
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关键词:
- 乙烯加成; 乙炴加成; 热力学; 动力学
English
Thermodynamic and Kinetic Study on Reactions OH+C2H2 and OH+C2H4
Abstract:
The reactions of OH radical with C_2H_2 and C_2H_4 have been studied with ther- modynamic and kinetic methods based on ab initio level. The changes of the ther-modynamic function of the reactions were calculated at a range of 200-1600 K of temperature. The results indicate that both of the reactions are exothermic, which is 135.60±2.76 and 100.58±7.32 kJ·mol~(-1) respectively at the cited temperature in-tervals. The reaction of OH radical with C_2H_2 can proceed easier than with C_2H_4. Also, the A factor and the rate constant of the reactions were calculated with transition state theory. Pressure dependence of the rate constants was found. At 298 K, 80.0 kPa, the rate constant k_1 equals 5.09×10~5 m~3·mol~(-1)·s~(-1), the experimental data is (4.49±1.63)×10~5 m~3·mol~(-1)·s~(-1); at 299.2 K, 88.31 kPa, k_2 is equal to 6.64×10~6 m~3·mol~(-1)·s~(-1), and the experimental data is (4.73±4.76)×10~6 m~3·mol~(-1)·s~(-1), which are in od agreement.
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