@Article{AlbernazSilvBarrCorr:2019:ThRaCo,
author = "Albernaz, Alessandra F. and Silva, Washington B. da and Barreto,
Patr{\'{\i}}cia Regina Pereira and Correa, Eberth",
affiliation = "{Universidade de Bras{\'{\i}}lia (UnB)} and Instituto Federal de
Educa{\c{c}}{\~a}o, Ci{\^e}ncia e Tecnologia de
Bras{\'{\i}}lia (IFB) and {Instituto Nacional de Pesquisas
Espaciais (INPE)} and {Universidade de Bras{\'{\i}}lia (UnB)}",
title = "Thermal rate constant for the C(\𝟑P) +
OH(X\𝟐\𝚷) \→ CO(X\𝟏\𝚺)
+ H(\𝟐S) reaction using stochastic energy grained master
equation method",
journal = "International Journal of Chemical Kinetics",
year = "2019",
volume = "51",
number = "8",
pages = "590--601",
keywords = "C+OH reaction, HCO and HOC radicals, thermal rate constant, master
equation.",
abstract = "In the present work, the kinetic mechanism of the reaction is
studied. The rate constants were determined using the Master
Equation Solver for Multi-Energy Well Reactions (MESMER). The
master equation modeling was also employed to examine the pressure
dependence for each pathway involved. The theoretical analysis
shows that the overall rate coefficient is practically independent
of pressure up to 100 Torr for the temperature range 125-500 K.
The unusual dependence of the overall rate constant with
temperature was fit with the \𝑑-Arrhenius expression
\𝑘(\𝑇 ) = \𝐴[1 \−
\𝑑\⋅\𝐸0 \𝑅\𝑇 ] 1
\𝑑 , where \𝐴 = 5.21 × 10\−11
cm3molecule\−1s\−1, \𝑑 = 2.12, and
\𝐸0 = \−0.749 kJ\⋅mol\−1, for
125\≤ T \≤ 500 K. The thermal rate constant results
are in relatively good agreement with other theoretical studies.",
doi = "10.1002/kin.21279",
url = "http://dx.doi.org/10.1002/kin.21279",
issn = "0538-8066",
language = "en",
targetfile =
Albernaz_et_al-2019-International_Journal_of_Chemical_Kinetics.pdf",
urlaccessdate = "27 abr. 2024"
}