Hi,
Thank you for your message. The Mechanism I am using is as follows:
1. CH3 + HCO = CH4 + CO 8.41E+13 0.0 0.0
2. CH2O + CH3 = CH4 + HCO 2.12E+04 2.8 5860.0
3. HCO + M = CO + H + M 5.75E+16 -1.0 17000.0
4. HCO + OH = CO + H2O 2.90E+12 0.0 0.0
5. CO + O2 = CO2 + O 3.12E+10 0.0 47700.0
6. CO + OH = CO2 + H 1.93E+14 -0.6 331.8
Duplicate
7. CO + OH = CO2 + H 7.37E+04 2.0 -355.7
Duplicate
8. CO + O (+M) = CO2 (+M) 2.35E+10 0.0 2384.0
Low /1.27881E+25 -2.79 4191.0/
H2O/12.0/ CO2/3.6/ CO/1.75/
9. HCO + O = CO2 + H 3.82E+10 0.0 0.0
10. HCO + O = CO + OH 2.14E+16 0.0 0.0
11. CO + HO2 = CO2 + OH 1.26E+06 2.1 17942.6
12. CH3 + HO2 = CH4 + O2 6.33E+12 0.0 0.0
13. CH3 + O2 = CH2O + OH 2.16E+11 0.0 8940.0
14. CH3 + H2O2 = CH4 + HO2 6.33E+02 2.5 5180.0
15. H + O2 = O + OH 2.32E+16 -0.7 17041.0
16. HO2 + OH = H2O + O2 2.23E+134 -40. 34800.0
Duplicate
17. H + H2O2 = H2O + OH 5.82E+14 0.0 3970.0
18. H2O2 + O = HO2 + OH 5.94E+08 2.0 3970.0
19. HO2 + OH = H2O + O2 2.82E+16 -1.8 60.0
Duplicate
20. HO2 + OH = H2O + O2 1.79E+85 -22. 26900.0
Duplicate
21. HO2 + OH = H2O + O2 3.74E+69 -17. 32900.0
Duplicate
22. HO2 + OH = H2O + O2 5.59E+12 2.0 40000.0
Duplicate
23. H2O2 + OH = H2O + HO2 4.78E+11 0.0 427.0
Duplicate
24. H2O2 + OH = H2O + HO2 2.85E+41 -7.0 37600.0
Duplicate
25. CH3 + H (+M) = CH4 (+M) 1.05E+17 -0.6 383.0
Low /2.17162E+34 -4.76 2440.0/
TROE /0.783 74.0 2941.0 6964.0/
CH4/2.0/ H2O/6.0/ CO2/2.0/ CO/1.5/
26. CH3 + O = CH2O + H 1.41E+13 0.0 0.0
27. CH2O + O = HCO + OH 1.20E+16 0.0 3540.0
28. CH2O + HO2 = H2O2 + HCO 2.64E+12 0.0 8000.0
29. CH2O + OH = H2O + HCO 2.49E+09 1.1 -447.0
30. CH2O + O2 = HCO + HO2 3.65E+18 0.0 40000.0
31. 2 O + M = O2 + M 6.25E+16 -1.0 0.0
32. H + O + M = OH + M 1.98E+18 -1.0 0.0
33. H + O2 (+M) = HO2 (+M) 5.43E+11 0.4 0.0
Low /3.75013E+21 -1.4 0.0/
TROE /0.5 1e-30 1e+30 0.0/
H2O/11.89/ CO2/2.18/ CO/1.09/ O2/0.85/
34. H + HO2 = H2O + O 5.99E+10 0.0 671.0
35. 2 OH (+M) = H2O2 (+M) 1.21E+15 -0.4 0.0
Low /9.04468E+14 -0.584 -2293.0/
TROE /0.7346 94.0 1756.0 5182.0/
H2O/6.0/ CO2/3.6/ CO/1.75/
36. HO2 + O = O2 + OH 9.55E+15 0.0 0.0
37. H + HO2 = 2 OH 1.20E+15 0.0 295.0
38. 2 HO2 = H2O2 + O2 3.54E+13 0.0 12000.0
Duplicate
39. 2 HO2 = H2O2 + O2 5.46E+10 0.0 -1630.0
Duplicate
40. CH4 + O = CH3 + OH 1.82E+10 1.5 8600.0
41. CH4 + OH = CH3 + H2O 4.60E+08 1.6 3120.0
42. H + OH + M = H2O + M 9.32E+23 -2.0 0.0
43. 2 OH = H2O + O 1.90E+02 2.4 -2110.0
44. H + HCO (+M) = CH2O (+M) 7.71E+11 0.5 -260.0
Low /8.89016E+23 -2.57 1425.0/
TROE /0.7824 271.0 2755.0 6570.0/
CH4/2.0/ H2O/6.0/ CO2/2.0/ CO/1.5/
45. H2O + HCO = CO + H + H2O 1.17E+18 -1.0 17000.0
46. HCO + O2 = CO + HO2 4.67E+07 0.8 -727.0
Also, other than the non-positive species sum error, I am also getting a dasac failure at certain temperatures.
Thank you
Best,
Anmol