k_inf = 5.21E+17 T^(-0.99) exp(-1580 cal/mol /RT) cm3/mol s
F_cent = (1-0.842) exp(-T/125) + 0.842 exp(-T/2219) + exp(-6882/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)----- (mol/cm3) ______________________________________________________________________ 300 -31.7 -100.5 2.13E+13 4.47E-58 4.78E+70 500 -33.8 -101.3 2.98E+13 9.17E-29 3.25E+41 1000 -35.5 -102.5 3.84E+12 1.07E-07 3.59E+19 1500 -35.8 -102.9 4.53E+11 2.54E-01 1.78E+12 2000 -35.9 -103.0 7.76E+10 1.84E+02 4.21E+08 2500 -35.8 -102.8 1.80E+10 6.06E+03 2.97E+06 3000 -35.7 -102.6 5.22E+09 4.58E+04 1.14E+05 ______________________________________________________________________ PRESSURE = 1 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 -31.7 -100.5 6.65E+13 1.39E-57 4.78E+70 500 -33.8 -101.3 9.76E+13 3.00E-28 3.25E+41 1000 -35.5 -102.5 2.69E+13 7.48E-07 3.59E+19 1500 -35.8 -102.9 3.87E+12 2.18E+00 1.78E+12 2000 -35.9 -103.0 6.97E+11 1.66E+03 4.21E+08 2500 -35.8 -102.8 1.65E+11 5.57E+04 2.97E+06 3000 -35.7 -102.6 4.87E+10 4.28E+05 1.14E+05 ______________________________________________________________________ PRESSURE = 10 atm N2 ______________________________________________________________________ Temp delta-S delta-H kf kr Keq (K) (cal/mol K) (kcal/mol) ----(mol,cm3,s)----- (mol/cm3) ______________________________________________________________________ 300 -31.7 -100.5 1.08E+14 2.25E-57 4.78E+70 500 -33.8 -101.3 1.75E+14 5.37E-28 3.25E+41 1000 -35.5 -102.5 8.54E+13 2.38E-06 3.59E+19 1500 -35.8 -102.9 2.34E+13 1.31E+01 1.78E+12 2000 -35.9 -103.0 5.35E+12 1.27E+04 4.21E+08 2500 -35.8 -102.8 1.39E+12 4.67E+05 2.97E+06 3000 -35.7 -102.6 4.28E+11 3.76E+06 1.14E+05 ______________________________________________________________________