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Author(s):   Mertens, L.A.; Awan, I.A.; Sheen, D.A.; Manion, J.A.
Title:   Evaluated Site-Specific Rate Constants for Reaction of Isobutane with H and CH3: Shock Tube Experiments Combined with Bayesian Model Optimization
Journal:   J. Phys. Chem. A
Volume:   122
Page(s):   9518 - 9541
Year:   2018
Reference type:   Journal article
Squib:   2018MER/AWA9518-9541

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

Use the Plot checkboxes to select data for plotting. Plot selected data using the "Create Plot" button. Click the squib to see extra information about a particular rate constant. Additional help is available.

| |
Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  2018MER/AWA9518-9541   2-C3H7 + ·CH3iso-C4H10  870 - 1130   1.28E-10   -0.68          2
  2018MER/AWA9518-9541   iso-C4H10 + H2 + iso-C4H9  870 - 1130   6.84E-12   2.54   3.10E04      2
  2018MER/AWA9518-9541   iso-C4H10 + H2 + tert-C4H9  870 - 1130   1.07E-12   2.40   1.05E04      2
  2018MER/AWA9518-9541   iso-C4H10 + ·CH3CH4 + iso-C4H9  870 - 1130   2.87E-15   3.65   3.25E04      2
  2018MER/AWA9518-9541   iso-C4H10 + ·CH3CH4 + tert-C4H9  870 - 1130   5.30E-16   3.46   1.50E04      2
  2018MER/AWA9518-9541   Toluene + H2 + Benzyl  870 - 1130   2.82E-10       3.74E04      2
  2018MER/AWA9518-9541   Toluene + Benzene + ·CH3  870 - 1130   6.51E-13   2.20   1.66E04      2
  2018MER/AWA9518-9541   Toluene + ·CH3CH4 + Benzyl  870 - 1130   5.76E-13       3.97E04      2
  2018MER/AWA9518-9541   Benzyl + ·CH3Ethylbenzene  870 - 1130   1.12E-11       925      2
  2018MER/AWA9518-9541   iso-C4H10 + H2 + iso-C4H9  870 - 1130   4.73E-12   2.54   2.82E04      2
  2018MER/AWA9518-9541   iso-C4H10 + H2 + tert-C4H9  870 - 1130   1.09E-12   2.40   1.17E04      2
  2018MER/AWA9518-9541   iso-C4H10 + ·CH3CH4 + iso-C4H9  870 - 1130   3.05E-15   3.65   3.18E04      2
  2018MER/AWA9518-9541   iso-C4H10 + ·CH3CH4 + tert-C4H9  870 - 1130   9.38E-16   3.46   1.96E04      2
  2018MER/AWA9518-9541   iso-C4H10 + ·CH3CH4 + iso-C4H9  870 - 1130   0.60   0.19   1.75E04      2
  Reference reaction:  iso-C4H10 + ·CH3CH4 + tert-C4H9 2
  2018MER/AWA9518-9541   iso-C4H10 + H2 + iso-C4H9  870 - 1130   0.71   0.14   2.05E04      2
  Reference reaction:  iso-C4H10 + H2 + tert-C4H9 2
  2018MER/AWA9518-9541   iso-C4H10 + H2 + iso-C4H9  290 - 1327   0.49   0.14   1.65E04   6.29E-04  2
  Reference reaction:  iso-C4H10 + H2 + tert-C4H9 2
  2018MER/AWA9518-9541   iso-C4H10 + ·CH3CH4 + iso-C4H9  290 - 1327   0.36   0.19   1.21E04   2.71E-03  2
  Reference reaction:  iso-C4H10 + ·CH3CH4 + tert-C4H9 2

Search returned 17 records.