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Author(s):   Brudnik, K.; Twarda, M.; Sarzynski, D.; Jodkowski, J. T.
Title:   Theoretical study of the kinetics of chlorine atom abstraction from chloromethanes by atomic chlorine
Journal:   J. Mol. Model.
Volume:   19
Page(s):   4181 - 4193
Year:   2013
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2013BRU/TWA4181-4193

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
  2013BRU/TWA4181-4193   CH3Cl + ·Cl·CH3 + Cl2  200 - 3000   2.06E-11   1.63   1.06E05   4.88E-30  2
  2013BRU/TWA4181-4193   ·CH3 + Cl2CH3Cl + ·Cl  200 - 3000   6.63E-13   1.51   -2245   1.64E-12  2
  2013BRU/TWA4181-4193   ·CH2Cl + Cl2CH2Cl2 + ·Cl  200 - 3000   7.27E-14   1.43   -3243   2.69E-13  2
  2013BRU/TWA4181-4193   CH2Cl2 + ·Cl·CH2Cl + Cl2  200 - 3000   2.34E-11   1.23   9.11E04   2.49E-27  2
  2013BRU/TWA4181-4193   CHCl3 + ·ClCHCl2 + Cl2  200 - 3000   5.25E-11   0.97   7.65E04   2.05E-24  2
  2013BRU/TWA4181-4193   CHCl2 + Cl2CHCl3 + ·Cl  200 - 3000   6.74E-14   1.60   3076   1.95E-14  2
  2013BRU/TWA4181-4193   CCl4 + ·Cl·CCl3 + Cl2  200 - 3000   1.50E-10   0.58   6.48E04   6.67E-22  2
  2013BRU/TWA4181-4193   ·CCl3 + Cl2CCl4 + ·Cl  200 - 3000   1.42E-13   1.52   4573   2.24E-14  2

Search returned 8 records.