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Table A.1

Comparison in activation energies for Reactions (R1)-(R5).

Reaction Label ΔHGas${\rm{\Delta }}H_{{\rm{Gas}}}^\ddag $ ΔH2H2O${\rm{\Delta }}H_{2{{\rm{H}}_2}{\rm{O}}}^\ddag $
CH3CHO + H → CH3CO + H2 R1 18.5 19.6
CH3CHO + H → CH3CH2O R2 31.0 27.7
CH3CHO + H→ CH2CHO + H2 R3 41.2 37.1
CH3CHO + H→ CH3CHOH R4 47.3 48.1
CH3CHO + H → CH4 + HCO R5 142.6 140.1

Notes. Using a gas phase (ΔHGas${\rm{\Delta }}H_{{\rm{Gas}}}^\ddag $ in kJ mol −1) and an explicit two H2O model (ΔH2H2O${\rm{\Delta }}H_{2{{\rm{H}}_2}{\rm{O}}}^\ddag $ in kJ mol−1).

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