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Accessibility information
Author(s):   Zachariah, M.R.; Tsang, W.
Title:   Theoretical calculation of thermochemistry, energetics, and kinetics of high-temperature SixHyOz reactions
Journal:   J. Phys. Chem.
Volume:   99
Page(s):   5308 - 5318
Year:   1995
Reference type:   Journal article
Squib:   1995ZAC/TSA5308-5318

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
  1995ZAC/TSA5308-5318   ·OH + SiO → SiO2 + H·  1000 - 2500   2.54E-12   0.78   5097      2
  1995ZAC/TSA5308-5318   ·OH + SiO → (·)Si(O)OH  1000 - 2500   4.32E-10   -3.60   7949      2
  1995ZAC/TSA5308-5318   SiO2 + H· → (·)Si(O)OH  1000 - 2500   1.79E-09   -4.00   2.37E04      2
  1995ZAC/TSA5308-5318   H2O + Cyclodisiloxane-2,4-diylidene- → Adduct  1000 - 2500   3.70E-15   3.20   6.87E04      2
  1995ZAC/TSA5308-5318   H2O + Cyclotrisiloxane-2,4,6-triylidene- → Adduct  1000 - 2500   4.07E-15   3.00   7.34E04      2
  1995ZAC/TSA5308-5318   H2O + SiH2 → H2 + H2Si=O  1000 - 2500   1.96E-15   -0.61   4.07E04      2
  1995ZAC/TSA5308-5318   H2O + SiH2 → H2 + HSiOH  1000 - 2500   2.29E-12   0.73   4.11E04      2
  1995ZAC/TSA5308-5318   H2O + SiH2 → H· + H2Si(·)OH  1000 - 2500   6.76E-13   1.95   8.98E04      2
  1995ZAC/TSA5308-5318   H2O + SiH2 → SiH3OH  1000 - 2500   8.05E-09   -6.37   6.75E04      2
  1995ZAC/TSA5308-5318   H2O + H2Si=O → H2 + HSi(O)OH  1000 - 2500   6.92E-14   0.43   3.22E04      2
  1995ZAC/TSA5308-5318   H· + SiH3OH → H2 + H2Si(·)OH  1000 - 2500   6.92E-12   1.77   5986      2
  1995ZAC/TSA5308-5318   H· + SiH3OH → H2 + H3SiO(·)  1000 - 2500   1.73E-12   1.89   3.72E04      2
  1995ZAC/TSA5308-5318   H· + H2Si=O → H2 + (·)Si(O)H  1000 - 2500   2.44E-11   0.58   3.03E04      2
  1995ZAC/TSA5308-5318   H· + H3SiO(·) → H2 + HSiOH  1000 - 2500   1.38E-09   -1.33   5695      2
  1995ZAC/TSA5308-5318   H· + HSi(O)OH → H2 + (·)Si(O)OH  1000 - 2500   5.53E-12   1.83   6336      2
  1995ZAC/TSA5308-5318   H· + H3SiO(·) → H2 + H2Si=O  1000 - 2500   1.07E-09   -1.37   5862      2
  1995ZAC/TSA5308-5318   H· + H3SiO(·) → SiH3OH  1000 - 2500   3.95E-11   0.52   649      2
  1995ZAC/TSA5308-5318   H· + H2Si(·)OH → H2 + H2Si=O  1000 - 2500   4.97E-09   -2.04   1.48E04      2
  1995ZAC/TSA5308-5318   H· + H2Si(·)OH → H2 + HSiOH  1000 - 2500   1.29E-08   -1.98   1.50E04      2
  1995ZAC/TSA5308-5318   H2Si=O + H2Si=O → Other Products + H2  1000 - 2500   7.11E-09   -3.10   4.66E04      2
  1995ZAC/TSA5308-5318   H· + H2Si(·)OH → H2O + SiH2  1000 - 2500   9.17E-11   -0.65   1.75E04      2
  1995ZAC/TSA5308-5318   Cyclodisiloxane-2,4-diylidene- → SiO + SiO  1000 - 2500   7.64E17   -6.56   2.30E05      1
  1995ZAC/TSA5308-5318   Cyclotrisiloxane-2,4,6-triylidene- → SiO + Cyclodisiloxane-2,4-diylidene-  1000 - 2500   2.97E23   -11.30   2.70E05      1
  1995ZAC/TSA5308-5318   SiH3OH → H2 + H2Si=O  1000 - 2500   4.59E16   -4.30   2.85E05      1
  1995ZAC/TSA5308-5318   SiH3OH → H2 + HSiOH  1000 - 2500   8.93E15   -4.20   2.79E05      1
  1995ZAC/TSA5308-5318   (·)Si(O)H → SiO + H·  1000 - 2500   2.15E17   -1.20   8.98E04      1
  1995ZAC/TSA5308-5318   Cyclodisiloxane → H2Si=O + H2Si=O  1000 - 2500   5.40E21   -6.80   4.70E04      1
  1995ZAC/TSA5308-5318   HSi(O)OH → :Si(OH)2  100 - 2500   2.44E21   -4.70   2.38E05   5.09E-21  1
  1995ZAC/TSA5308-5318   H3SiO(·) → H2Si(·)OH  1000 - 2500   5.53E17   -2.60   6.45E04      1
  1995ZAC/TSA5308-5318   HSiOH → H2 + SiO  1000 - 2500   3.72E19   -3.80   1.61E05      1
  1995ZAC/TSA5308-5318   :Si(OH)2 → H2O + SiO  1000 - 2500   1.95E20   -4.40   1.75E05      1
  1995ZAC/TSA5308-5318   H2Si(·)OH → H2 + (·)Si(O)H  1000 - 2500   3.72E19   -3.40   2.50E05      1
  1995ZAC/TSA5308-5318   2lambda2, 4lambda2, 6lambda2, 8lambda2-Cyclotetrasiloxane → SiO + Cyclotrisiloxane-2,4,6-triylidene-  1000 - 2500   3.07E20   -8.90   1.91E05      1
  1995ZAC/TSA5308-5318   H· + H2Si=O → H2Si(·)OH  1000 - 2500   1.34E-08   -3.60   3.44E04      2
Search returned 34 records.