附录二：完整版ADN气相燃烧机理
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ELEMENTS ATOMIC
CONSIDERED WEIGHT
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1. H 1.00797
2. N 14.0067
3. O 15.9994
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C
P H
H A
A R
SPECIES S G MOLECULAR TEMPERATURE ELEMENT COUNT
CONSIDERED E E WEIGHT LOW HIGH H N O
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1. ADN G 0 124.05628 300.0 3000.0 4 4 4
2. HN3O4 G 0 107.02567 300.0 5000.0 1 3 4
3. HNNO2 G 0 61.02017 300.0 5000.0 1 2 2
4. AN(G) G 0 80.04348 300.0 2000.0 4 2 3
5. HNNO G 0 45.02077 300.0 4000.0 1 2 1
6. H2O G 0 18.01534 300.0 5000.0 2 0 1
7. N2O G 0 44.01280 300.0 5000.0 0 2 1
8. NO G 0 30.00610 300.0 5000.0 0 1 1
9. N2 G 0 28.01340 300.0 5000.0 0 2 0
10. NH3 G 0 17.03061 300.0 5000.0 3 1 0
11. NO3 G 0 62.00490 300.0 5000.0 0 1 3
12. HNO3 G 0 63.01287 300.0 5000.0 1 1 3
13. H2 G 0 2.01594 300.0 5000.0 2 0 0
14. O2 G 0 31.99880 300.0 5000.0 0 0 2
15. O G 0 15.99940 300.0 5000.0 0 0 1
16. H G 0 1.00797 300.0 5000.0 1 0 0
17. OH G 0 17.00737 300.0 5000.0 1 0 1
18. HO2 G 0 33.00677 300.0 5000.0 1 0 2
19. H2O2 G 0 34.01474 300.0 5000.0 2 0 2
20. N G 0 14.00670 300.0 5000.0 0 1 0
21. NO2 G 0 46.00550 300.0 5000.0 0 1 2
22. NH G 0 15.01467 300.0 5000.0 1 1 0
23. NH2 G 0 16.02264 300.0 5000.0 2 1 0
24. NNH G 0 29.02137 250.0 4000.0 1 2 0
25. HNO G 0 31.01407 300.0 5000.0 1 1 1
26. HONO G 0 47.01347 300.0 5000.0 1 1 2
27. N2H2 G 0 30.02934 300.0 5000.0 2 2 0
centering 28. H2NNO G 0 46.02874 300.0 4000.0 2 2 1
29. H2NO G 0 32.02204 300.0 4000.0 2 1 1
30. HNOH G 0 32.02204 300.0 4000.0 2 1 1
31. HNNH G 0 30.02934 300.0 5000.0 2 2 0
32. N2H3 G 0 31.03731 300.0 5000.0 3 2 0
33. N2H4 G 0 32.04528 300.0 5000.0 4 2 0
34. H2NOH G 0 33.03001 300.0 4000.0 3 1 1
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(k = A T**b exp(-E/RT))
REACTIONS CONSIDERED A b E
1. ADN+M=>NH3+HN3O4+M 3.00E+12 0.0 11481.0
Declared
2. ADN=>NH3+HN3O4 1.00E+06 0.0 11481.0
Declared
3. AN(G)+M=>NH3+HNO3+M 3.00E+12 0.0 8030.6
4. HNNH+OH=>H2O+N2+H 2.50E+12 0.0 0.0
5. HN3O4=>HNNO2+NO2 5.63E+39 -7.5 42400.0
6. HNNO2+NO2=>HN3O4 1.42E+38 -8.4 4592.0
7. HNNO2+M=NH+NO2+M 6.35E+18 -1.1 39397.0
8. HNNO2+NO2=HNO+NO+NO2 3.00E+12 0.0 0.0
9. HNNO2+OH=H2O+2NO 5.00E+12 0.0 0.0
10. HNNO2+OH=HNO+HONO 5.00E+12 0.0 0.0
11. HNNO2+NH2=>N2H2+HONO 2.50E+12 0.0 0.0
12. HNNO2+NO=HNNO+NO2 4.00E+12 0.0 0.0
13. HNNO2+NO=HONO+N2O 2.00E+12 0.0 0.0
14. H2+M=H+H+M 4.57E+19 -1.4 104000.0
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