k_inf = 1.09E+12 T^0.48 exp(260 cal/mol /RT) cm3/mol s
F_cent = (1-0.782) exp(-T/271) + 0.782 exp(-T/2755) + exp(-6570/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
COMMENTS:
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 -28.8 -88.1 1.78E+12 9.31E-51 1.91E+62 500 -31.0 -89.0 4.05E+11 7.67E-26 5.28E+36 1000 -32.9 -90.3 4.22E+10 1.48E-07 2.84E+17 1500 -33.3 -90.8 1.05E+10 9.72E-02 1.08E+11 2000 -33.4 -90.9 3.86E+09 5.45E+01 7.08E+07 2500 -33.4 -90.8 1.77E+09 1.94E+03 9.14E+05 3000 -33.3 -90.7 9.40E+08 1.80E+04 5.23E+04 ______________________________________________________________________ PRESSURE = 1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 -28.8 -88.1 9.41E+12 4.93E-50 1.91E+62 500 -31.0 -89.0 3.22E+12 6.10E-25 5.28E+36 1000 -32.9 -90.3 3.90E+11 1.37E-06 2.84E+17 1500 -33.3 -90.8 9.88E+10 9.15E-01 1.08E+11 2000 -33.4 -90.9 3.66E+10 5.16E+02 7.08E+07 2500 -33.4 -90.8 1.69E+10 1.85E+04 9.14E+05 3000 -33.3 -90.7 9.01E+09 1.72E+05 5.23E+04 ______________________________________________________________________ PRESSURE = 10 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 -28.8 -88.1 1.96E+13 1.03E-49 1.91E+62 500 -31.0 -89.0 1.19E+13 2.26E-24 5.28E+36 1000 -32.9 -90.3 2.98E+12 1.05E-05 2.84E+17 1500 -33.3 -90.8 8.52E+11 7.89E+00 1.08E+11 2000 -33.4 -90.9 3.27E+11 4.62E+03 7.08E+07 2500 -33.4 -90.8 1.54E+11 1.68E+05 9.14E+05 3000 -33.3 -90.7 8.33E+10 1.59E+06 5.23E+04 ______________________________________________________________________