k_inf = 1.30E+11 exp(-59620 cal/mol /RT) s^(-1)
Third-body efficiencies:N2 1.0 H2 Enhanced by 2.0 H2O Enhanced by 6.0 CH4 Enhanced by 2.0 CO Enhanced by 1.5 CO2 Enhanced by 2.0 C2H6 Enhanced by 3.0 AR Enhanced by 0.7
PRESSURE = 0.1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 31.7 40.1 4.21E-33 1.86E-06 2.27E-27 500 32.7 40.5 3.25E-16 4.46E-01 7.29E-16 1000 33.0 40.6 4.01E-04 1.51E+03 2.66E-07 1500 32.7 40.3 3.33E+00 2.12E+04 1.57E-04 2000 32.4 39.8 2.78E+02 8.22E+04 3.38E-03 2500 32.2 39.2 3.75E+03 1.89E+05 1.98E-02 3000 32.0 38.6 2.05E+04 3.38E+05 6.08E-02 ______________________________________________________________________ PRESSURE = 1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 31.7 40.1 4.74E-33 2.09E-06 2.27E-27 500 32.7 40.5 9.08E-16 1.25E+00 7.29E-16 1000 33.0 40.6 3.09E-03 1.16E+04 2.66E-07 1500 32.7 40.3 3.00E+01 1.91E+05 1.57E-04 2000 32.4 39.8 2.61E+03 7.74E+05 3.38E-03 2500 32.2 39.2 3.60E+04 1.82E+06 1.98E-02 3000 32.0 38.6 1.99E+05 3.28E+06 6.08E-02 ______________________________________________________________________ PRESSURE = 10 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 31.7 40.1 4.80E-33 2.11E-06 2.27E-27 500 32.7 40.5 1.11E-15 1.52E+00 7.29E-16 1000 33.0 40.6 9.39E-03 3.53E+04 2.66E-07 1500 32.7 40.3 1.49E+02 9.51E+05 1.57E-04 2000 32.4 39.8 1.64E+04 4.86E+06 3.38E-03 2500 32.2 39.2 2.56E+05 1.29E+07 1.98E-02 3000 32.0 38.6 1.53E+06 2.51E+07 6.08E-02 ______________________________________________________________________