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Research on oxidation decomposition mechanism of fluoroethane.

Author(s) : FENG B., ZHAO G., YANG Z., WANG D., MA S.

Type of article: IJR article

Summary

Fluoroethane is a potential fluid or component of new environmentally friendly working fluids, but its flammability affects its direct application. The oxidative decomposition mechanism of the working fluid is the key to further study its flammability or stability. Therefore, the oxidative decomposition mechanism of fluoroethane was researched by density functional theory. Firstly, seven initial thermal decomposition paths of fluoroethane and four oxidative decomposition paths involving oxygen were obtained, among which the main initial decomposition products were CH2=CH2 and HF, and the free radicals were ·CH3, ·CH2F, H·, HOO·, etc.; Secondly, the main reaction process of six typical active radicals generated by the chain reaction and fluoroethane was also studied, and it was found that the energy barrier of the hydrogen-extraction reaction was lower than that of the fluorine-extraction reaction, and most of the reactions were exothermic reactions; Finally, the subsequent reaction processes of the main radicals ·CH3 and ·CH2F in the decomposition of fluoroethane were analyzed, and more than 20 possible products and their energy changes were obtained. The relevant results have guiding significance for weakening the flammability of fluoroethane, improving its thermal stability and evaluating its oxidative decomposition products from the deep mechanism.

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Pages: 35-44

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Details

  • Original title: Research on oxidation decomposition mechanism of fluoroethane.
  • Record ID : 30031143
  • Languages: English
  • Subject: HFCs alternatives
  • Source: International Journal of Refrigeration - Revue Internationale du Froid - vol. 148
  • Publication date: 2023/04
  • DOI: http://dx.doi.org/10.1016/j.ijrefrig.2022.12.030

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