k_inf = 2.43E+12 T^(0.515) exp(-50 cal/mol /RT) cm3/mol s
F_cent = (1-0.70) exp(-T/100) + 0.70 exp(-T/90000) + exp(-10000/T)
Third-body efficiencies:
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 -24.7 -104.0 3.82E+07 6.47E-68 5.90E+74 500 -26.5 -104.7 6.39E+09 1.63E-35 3.93E+44 1000 -28.3 -106.0 2.18E+10 2.79E-12 7.80E+21 1500 -29.0 -106.8 7.61E+09 3.68E-05 2.07E+14 2000 -29.3 -107.4 2.20E+09 6.36E-02 3.46E+10 2500 -29.5 -107.9 6.83E+08 3.56E+00 1.92E+08 3000 -29.7 -108.2 2.36E+08 3.84E+01 6.15E+06 ______________________________________________________________________ PRESSURE = 1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (cm3/mol) ______________________________________________________________________ 300 -24.7 -104.0 3.80E+08 6.44E-67 5.90E+74 500 -26.5 -104.7 6.29E+10 1.60E-34 3.93E+44 1000 -28.3 -106.0 2.14E+11 2.74E-11 7.80E+21 1500 -29.0 -106.8 7.50E+10 3.62E-04 2.07E+14 2000 -29.3 -107.4 2.18E+10 6.30E-01 3.46E+10 2500 -29.5 -107.9 6.78E+09 3.53E+01 1.92E+08 3000 -29.7 -108.2 2.35E+09 3.82E+02 6.15E+06 ______________________________________________________________________ PRESSURE = 10 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (cm3/mol) ______________________________________________________________________ 300 -24.7 -104.0 3.77E+09 6.39E-66 5.90E+74 500 -26.5 -104.7 6.04E+11 1.54E-33 3.93E+44 1000 -28.3 -106.0 2.00E+12 2.56E-10 7.80E+21 1500 -29.0 -106.8 7.25E+11 3.50E-03 2.07E+14 2000 -29.3 -107.4 2.14E+11 6.18E+00 3.46E+10 2500 -29.5 -107.9 6.70E+10 3.49E+02 1.92E+08 3000 -29.7 -108.2 2.33E+10 3.79E+03 6.15E+06 ______________________________________________________________________
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