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Shock Tube Measurement of the C2H4 + H ⇔ C2H3 + H2 Rate Constant.
Shao, Jiankun; Choudhary, Rishav; Peng, Yuzhe; Davidson, David F; Hanson, Ronald K.
Afiliação
  • Shao J; Mechanical Engineering Department , Stanford University , Stanford , California 94305 , United States.
  • Choudhary R; Mechanical Engineering Department , Stanford University , Stanford , California 94305 , United States.
  • Peng Y; Mechanical Engineering Department , Stanford University , Stanford , California 94305 , United States.
  • Davidson DF; Mechanical Engineering Department , Stanford University , Stanford , California 94305 , United States.
  • Hanson RK; Mechanical Engineering Department , Stanford University , Stanford , California 94305 , United States.
J Phys Chem A ; 123(1): 15-20, 2019 Jan 10.
Article em En | MEDLINE | ID: mdl-30537818
ABSTRACT
The rate constant for the reaction C2H4 + H ⇔ C2H3 + H2 was studied behind reflected shock waves at temperatures between 1619 and 1948 K and pressures near 10 atm in a mixture of C2H4, CH4, H2, and argon. C2H4 time histories were measured using laser absorption of a CO2 gas laser near 10.53 µm. Experimental mixtures were designed to optimize sensitivity to the title reaction with only weak sensitivity to secondary reactions. Two mechanisms, FFCM1 and ARAMCO v2, are used for data analysis. The well-selected operating conditions and Monte Carlo sampling data analysis procedure resulted in mechanism-independent reaction rate constant measurements with a 2σ uncertainty of ±35%. The current data disagree with a broadly used theoretical calculation (Knyazev et al. (1996)), but they are in good consensus with one of the review studies (Baulch et al. (2005)), k = (3.9 × 1022) T3.62 exp(-5670/ T) cm3 molecule-1 s-1. To the best of our knowledge, this work provides the first high-temperature study of the C2H4 + H ⇔ C2H3 + H2 reaction rate constant with well-defined uncertainty.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Estados Unidos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem A Assunto da revista: QUIMICA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Estados Unidos