k_inf = 3.10E+12 T^0.15 cm3/mol s
F_cent = (1-0.667) exp(-T/235) + 0.667 exp(-T/2117) + exp(-4536/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)----- (cm3/mol) ______________________________________________________________________ 300 -29.8 -32.3 1.94E+11 7.13E-11 2.72E+21 500 -30.3 -32.5 3.85E+10 2.41E-02 1.60E+12 1000 -29.6 -32.0 3.08E+09 1.14E+04 2.70E+05 1500 -29.0 -31.3 6.44E+08 3.22E+05 2.00E+03 2000 -28.7 -30.7 2.09E+08 1.06E+06 1.98E+02 2500 -28.5 -30.2 8.73E+07 1.63E+06 5.34E+01 3000 -28.4 -29.9 4.26E+07 1.82E+06 2.34E+01 ______________________________________________________________________ PRESSURE = 1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (cm3/mol) ______________________________________________________________________ 300 -29.8 -32.3 1.34E+12 4.91E-10 2.72E+21 500 -30.3 -32.5 3.31E+11 2.07E-01 1.60E+12 1000 -29.6 -32.0 2.85E+10 1.06E+05 2.70E+05 1500 -29.0 -31.3 6.07E+09 3.03E+06 2.00E+03 2000 -28.7 -30.7 2.00E+09 1.01E+07 1.98E+02 2500 -28.5 -30.2 8.41E+08 1.57E+07 5.34E+01 3000 -28.4 -29.9 4.13E+08 1.77E+07 2.34E+01 ______________________________________________________________________ PRESSURE = 10 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (cm3/mol) ______________________________________________________________________ 300 -29.8 -32.3 3.78E+12 1.39E-09 2.72E+21 500 -30.3 -32.5 1.76E+12 1.10E+00 1.60E+12 1000 -29.6 -32.0 2.35E+11 8.71E+05 2.70E+05 1500 -29.0 -31.3 5.38E+10 2.69E+07 2.00E+03 2000 -28.7 -30.7 1.83E+10 9.24E+07 1.98E+02 2500 -28.5 -30.2 7.87E+09 1.47E+08 5.34E+01 3000 -28.4 -29.9 3.93E+09 1.68E+08 2.34E+01 ______________________________________________________________________