RMG-database
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Added kinetics "CH3OH+H=CH3+H2O"
Add kinetics data for CH3OH + H that leads to CH3 + H2O.
Originally it only contained two channels which are:
- CH3OH + H = CH3O + H2
- CH3OH + H = CH2OH + H2
However, there is another channel that leads to CH3 + H2O. Although the branching ratio of this reaction is still small compared to the other two channels, it will be important at the elevated temperature above ~800 K and pressure. In the deep planetary atmosphere (e.g., Jupiter), this channel would be a significant channel for CO-CH4 conversion.
The ab initio calculation for this rate coefficient was done by Stephen J. Klippenstein in Moses, et al., (2011), The Astrophysical Journal, 737(1), 15. https://iopscience.iop.org/article/10.1088/0004-637X/737/1/15/meta
at the QCISD(T)/CBS//QCISD(T)/cc-pVTZ with the spin-restricted formalism using the MOLPRO.