k_inf = 1.055E+12 T^(0.5) exp(-86 cal/mol /RT)cm3/mol s
F_cent = (1-0.60) exp(-T/100) + 0.60 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 -28.4 -96.6 9.54E+10 2.51E-58 3.80E+68 500 -31.3 -97.8 1.58E+11 4.98E-30 3.17E+40 1000 -33.7 -99.4 4.22E+10 2.23E-09 1.89E+19 1500 -34.2 -100.1 1.02E+10 6.62E-03 1.54E+12 2000 -34.3 -100.2 3.12E+09 6.78E+00 4.60E+08 2500 -34.3 -100.2 1.15E+09 3.10E+02 3.71E+06 3000 -34.3 -100.0 4.92E+08 3.17E+04 1.55E+05 ______________________________________________________________________ PRESSURE = 1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (cm3/mol) ______________________________________________________________________ 300 -28.4 -96.6 8.23E+11 2.17E-57 3.80E+68 500 -31.3 -97.8 1.33E+12 4.20E-29 3.17E+40 1000 -33.7 -99.4 3.95E+11 2.09E-08 1.89E+19 1500 -34.2 -100.1 9.88E+10 6.42E-02 1.54E+12 2000 -34.3 -100.2 3.05E+10 6.63E+01 4.60E+08 2500 -34.3 -100.2 1.13E+10 3.05E+03 3.71E+06 3000 -34.3 -100.0 4.86E+09 3.14E+04 1.55E+05 ______________________________________________________________________ PRESSURE = 10 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (cm3/mol) ______________________________________________________________________ 300 -28.4 -96.6 4.23E+12 1.11E-56 3.80E+68 500 -31.3 -97.8 6.18E+12 1.95E-28 3.17E+40 1000 -33.7 -99.4 3.06E+12 1.62E-07 1.89E+19 1500 -34.2 -100.1 9.00E+11 5.84E-01 1.54E+12 2000 -34.3 -100.2 2.91E+11 6.33E+02 4.60E+08 2500 -34.3 -100.2 1.10E+11 2.96E+04 3.71E+06 3000 -34.3 -100.0 4.75E+10 3.06E+05 1.55E+05 ______________________________________________________________________
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