Citation: Sun Li-Peng, Ma Ao, Wang Yi-Xuan, Liu Cheng-Bu. Thermodynamic and Kinetic Study of Gas-phase Hydrolysis of CF3C(O)F to CF3COOH[J]. Acta Physico-Chimica Sinica, 1996, 12(04): 361-364. doi: 10.3866/PKU.WHXB19960415
English
Thermodynamic and Kinetic Study of Gas-phase Hydrolysis of CF3C(O)F to CF3COOH
Based on the ab initio calculated results, the thermodynamic functions and kinetic parameters of the gas-phase hydrolysis of CF3C(O)F to CF3COOH have been calculated in the temperature range 200-1500 K with statistical thermodynamic method and Eyring’s transition state theory. The heat capacities of some important species ocurring in the reactions have been calculated and fitted in the formula (a + bT + cT2 + dT3 + eT4).
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Key words:
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Thermodynamics
- / Kinetics
- / CF3C(O)F
- / Gas-phase hydrolysis
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