Kinetics Database Resources
Title: Ab Initio and Kinetic Study on CH3 Radical Reaction with H2CO
Journal: J. Phys. Chem. A
Page(s): 2929 - 2933
Reference type: Journal article
CH2O + ·CH3 → CH3OCH2
Considered abstraction, carbon addition, and oxygen addition channels. Abstraction dominates over addition channels by factor of 10 over carbon addition and many orders of magnitude over oxygen addition channel. Found carbon addition channel can contribute at lower temperatures. Agreement with experimental measurements is good (factor of 2 higher) with some and only fair with others (factor of 5-10 higher). Depends on temperature range and the specific measurement.
Calculated barriers are 40 kcal/mol for abstraction, 34 kcal/mol for C addition, and 69 kcal/mol for O addition channels. Although abstraction has higher barrier than C addition, it also has larger prefactor.
Fits given here in database are NIST fits to curves in Figure 3 in paper. Rate expressions NOT given in paper.
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