k_inf = 1.80E+10 exp(-2385 cal/mol /RT) cm^3/mol s
Lindemann Falloff
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 -34.7 -127.2 1.49E+07 4.98E-83 2.99E+89 500 -35.9 -127.7 6.87E+07 1.86E-45 3.70E+52 1000 -36.3 -127.9 1.57E+08 1.83E-17 8.57E+24 1500 -36.2 -127.8 1.75E+08 2.82E-08 6.21E+15 2000 -36.0 -127.4 1.70E+08 9.14E-04 1.86E+11 2500 -35.8 -127.0 1.58E+08 4.10E-01 3.85E+08 3000 -35.7 -126.5 1.46E+08 2.23E+01 6.56E+06 ______________________________________________________________________
PRESSURE = 1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 -34.7 -127.2 9.25E+07 3.09E-82 2.99E+89 500 -35.9 -127.7 4.98E+08 1.35E-44 3.70E+52 1000 -36.3 -127.9 1.25E+09 1.46E-16 8.57E+24 1500 -36.2 -127.8 1.46E+09 2.35E-07 6.21E+15 2000 -36.0 -127.4 1.47E+09 7.90E-03 1.86E+11 2500 -35.8 -127.0 1.40E+09 3.64E+00 3.85E+08 3000 -35.7 -126.5 1.32E+09 2.01E+02 6.56E+06 ______________________________________________________________________ PRESSURE = 10 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 -34.7 -127.2 1.93E+08 6.45E-82 2.99E+89 500 -35.9 -127.7 1.33E+09 3.59E-44 3.70E+52 1000 -36.3 -127.9 4.06E+09 4.74E-16 8.57E+24 1500 -36.2 -127.8 5.57E+09 8.97E-07 6.21E+15 2000 -36.0 -127.4 6.29E+09 3.38E-02 1.86E+11 2500 -35.8 -127.0 6.56E+09 1.70E+01 3.85E+08 3000 -35.7 -126.5 6.66E+09 1.02E+03 6.56E+06 ______________________________________________________________________