k_inf = 2.12E+16 T^(-0.97) exp(-620 cal/mol /RT) cm3/mol s
F_cent = (1-0.533) exp(-T/151) + 0.533 exp(-T/1038) + exp(-4970/T)
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 -38.0 -90.3 2.79E+13 3.94E-49 7.08E+61 500 -40.3 -91.1 2.29E+13 5.16E-23 4.44E+35 1000 -40.8 -91.4 4.51E+12 4.78E-04 9.42E+15 1500 -40.1 -90.5 5.09E+11 1.54E+02 3.30E+09 2000 -39.3 -89.2 8.29E+10 3.56E+04 2.33E+06 2500 -38.7 -87.9 1.67E+10 4.96E+05 3.37E+04 3000 -38.2 -86.4 3.83E+09 1.76E+06 2.17E+03 ______________________________________________________________________ PRESSURE = 1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 -38.0 -90.3 2.90E+13 4.09E-49 7.08E+61 500 -40.3 -91.1 2.55E+13 5.75E-23 4.44E+35 1000 -40.8 -91.4 1.03E+13 1.10E-03 9.42E+15 1500 -40.1 -90.5 1.91E+12 5.80E+02 3.30E+09 2000 -39.3 -89.2 3.98E+11 1.71E+05 2.33E+06 2500 -38.7 -87.9 1.09E+11 3.23E+06 3.37E+04 3000 -38.2 -86.4 3.04E+10 1.40E+07 2.17E+03 ______________________________________________________________________ PRESSURE = 10 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 -38.0 -90.3 2.94E+13 4.15E-49 7.08E+61 500 -40.3 -91.1 2.66E+13 5.98E-23 4.44E+35 1000 -40.8 -91.4 1.47E+13 1.56E-03 9.42E+15 1500 -40.1 -90.5 5.43E+12 1.65E+03 3.30E+09 2000 -39.3 -89.2 1.50E+12 6.44E+05 2.33E+06 2500 -38.7 -87.9 4.97E+11 1.47E+07 3.37E+04 3000 -38.2 -86.4 1.89E+11 8.72E+07 2.17E+03 ______________________________________________________________________