The Mechanism of Free Radical Reforming Reaction of CH4 And CO2

Wen Yuan Xu; Huan Huan Wan; Jie Xia Zhou; Yi Ping Liu; Lin Hu; San Guo Hong

doi:10.4028/www.scientific.net/AMM.448-453.3037

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 448-453The Mechanism of Free Radical Reforming Reaction...

The Mechanism of Free Radical Reforming Reaction of CH₄And CO₂

Abstract:

The mechanism of CH₄-CO₂ free radical reforming was investigated by DFT and B3LYP methods. The gained results have indicated that the main dehydrogenation of CHx were lost hydroxide atom step by step.The form process of carboxyl was very easy. The decomposition of the carboxyl or the compound included carboxyl were direct decomposition into carbon monoxide at low temperature. The intermediate as ·COOH and CH₃COO·were also easy to take place the decomposited into carbon monoxide or CH₃O.The hydroxide radical also could combine CH₃·,CH₂·,CH· into sterols. The decomposition of CH_xO(x≠3) is easy and through direct dehydrogenation. The decomposition of methanol were three channels and it can creat H₂, C₂H₆, H₂O.

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Periodical:

Applied Mechanics and Materials (Volumes 448-453)

Pages:

3037-3040

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.448-453.3037

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Online since:

October 2013

Authors:

Wen Yuan Xu, Huan Huan Wan, Jie Xia Zhou, Yi Ping Liu, Lin Hu, San Guo Hong

Keywords:

CH₄/CO₂, Free Radical, Reforming, Reforming Mechanism

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