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Accessibility information
Author(s):   Mackie, J.C.; Bacskay, G.B.
Title:   Quantum chemical study of the mechanism of reaction between NH (X (3)Sigma(-)) and H-2, H2O, and CO2 under combustion conditions
Journal:   J. Phys. Chem. A
Volume:   109
Page(s):   11967 - 11974
Year:   2005
Reference type:   Journal article
Squib:   2005MAC/BAC11967-11974

Associated entries:

Search Results


Rate expression:  k(T) = A (T/298 K)n e-Ea/RT
Rate expression units:
First order:  s-1
Second order:  cm3/molecule s
Third order:  cm6/molecule2 s
R = 8.314472 J / mole K
Energy Units J   Molecular Units Molecule
Pressure Units bar   Temperature Units K
Base Volume Unit cm   Reference Temperature 298.0
Evaluation Temperature 298.0

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| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  2005MAC/BAC11967-11974   H2 + NH + NH2  1000 - 2000   1.83E-10       8.74E04      2
  2005MAC/BAC11967-11974   H2O + NH·OH + NH2  1000 - 2000   1.01E-10       1.37E05      2
  2005MAC/BAC11967-11974   CO2 + NH → Products  1000 - 2000   1.36E-10       1.44E05      2
    2005MAC/BAC11967-11974   CO2 + NH → O=CON-H  1000 - 2000                  2
    2005MAC/BAC11967-11974   CO2 + NHCO + HNO  1000 - 2000                  2
  2005MAC/BAC11967-11974   ·OH + NH2H2O + NH  1000 - 2000   9.48E-14   2.64          2

Search returned 6 records.