Addition of toluene and ethylbenzene to mixtures of H2 and O2 at 773 K
作者： Malcolm Scott , Raymond W. Walker
DOI: 10.1016/S0010-2180(02)00350-4
关键词: Entropy of activation 、 Hydrogen 、 Toluene 、 Standard enthalpy of reaction 、 Reaction rate 、 Medicinal chemistry 、 Ethylbenzene 、 Photochemistry 、 Chemistry 、 Reaction rate constant 、 Radical
摘要: Abstract Relative rate constants have been determined for the reactions of H atoms and HO2 radicals with toluene ethylbenzene by adding traces these compounds to mixtures H2 + O2 at 773 K. The values k24t = (5.5 ± 1.5) × 104 k24e (1.65 0.63) 105 dm3 mol−1 s−1 are first reliable kinetic data obtained abstraction an atom from any aromatic compound radicals. It is shown that significantly lower than expected on grounds enthalpy reaction, it concluded explanation lies in a combination A factor observed alkanes (because loss entropy activation emerging electron-delocalized radicals), slightly higher energy. comprehensive database alkanes, aromatics, alkenes, related has assembled recommended use over temperature range 600 1200 (24t) HO 2 C 6 5 CH 3 → O (24e) CHCH / overall k22t=(5.0 1.0) 108 k22e (1.07 0.25) 109 attack As found ethylbenzene, expected, despite fact least one other pathway besides known occur. (22t) products (22e)
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