CHEMKIN INTERPRETER OUTPUT: CHEMKIN-II Version 3.6 Apr. 1994 DOUBLE PRECISION -------------------- ELEMENTS ATOMIC CONSIDERED WEIGHT -------------------- 1. H 1.00797 2. O 15.9994 3. C 12.0112 4. N 14.0067 -------------------- ------------------------------------------------------------------------------- C P H H A A R SPECIES S G MOLECULAR TEMPERATURE ELEMENT COUNT CONSIDERED E E WEIGHT LOW HIGH H O C N ------------------------------------------------------------------------------- 1. H2 G 0 2.01594 300.0 5000.0 2 0 0 0 2. O2 G 0 31.99880 300.0 5000.0 0 2 0 0 3. H G 0 1.00797 300.0 5000.0 1 0 0 0 4. O G 0 15.99940 300.0 5000.0 0 1 0 0 5. OH G 0 17.00737 300.0 5000.0 1 1 0 0 6. HO2 G 0 33.00677 300.0 5000.0 1 2 0 0 7. H2O G 0 18.01534 300.0 5000.0 2 1 0 0 8. H2O2 G 0 34.01474 300.0 5000.0 2 2 0 0 9. HCO G 0 29.01852 300.0 5000.0 1 1 1 0 10. CO G 0 28.01055 300.0 5000.0 0 1 1 0 11. CO2 G 0 44.00995 300.0 5000.0 0 2 1 0 12. CH G 0 13.01912 300.0 5000.0 1 0 1 0 13. CH2 G 0 14.02709 250.0 4000.0 2 0 1 0 14. CH3 G 0 15.03506 300.0 5000.0 3 0 1 0 15. CH4 G 0 16.04303 300.0 5000.0 4 0 1 0 16. CH2O G 0 30.02649 300.0 5000.0 2 1 1 0 17. CH3O G 0 31.03446 300.0 3000.0 3 1 1 0 18. C2H2 G 0 26.03824 300.0 5000.0 2 0 2 0 19. C2H3 G 0 27.04621 300.0 5000.0 3 0 2 0 20. C2H G 0 25.03027 300.0 4000.0 1 0 2 0 21. C2H4 G 0 28.05418 300.0 5000.0 4 0 2 0 22. C2H2O G 0 42.03764 200.0 6000.0 2 1 2 0 23. C2HO G 0 41.02967 200.0 6000.0 1 1 2 0 24. C3H2 G 0 38.04939 150.0 4000.0 2 0 3 0 25. C3H3 G 0 39.05736 200.0 6000.0 3 0 3 0 26. C3H4 G 0 40.06533 300.0 4000.0 4 0 3 0 27. C4H2 G 0 50.06054 300.0 5000.0 2 0 4 0 28. C4H3 G 0 51.06851 298.1 6000.0 3 0 4 0 29. C4H4 G 0 52.07648 200.0 6000.0 4 0 4 0 30. C4H5 G 0 53.08445 300.0 3000.0 5 0 4 0 31. C5H5 G 0 65.09560 298.1 5000.0 5 0 5 0 32. C5H6 G 0 66.10357 300.0 5000.0 6 0 5 0 33. C5H5O G 0 81.09500 200.0 6000.0 5 1 5 0 34. C5H4OH G 0 81.09500 200.0 6000.0 5 1 5 0 35. C6H5 G 0 77.10675 300.0 4000.0 5 0 6 0 36. C6H6 G 0 78.11472 300.0 5000.0 6 0 6 0 37. C6H5O G 0 93.10615 300.0 4000.0 5 1 6 0 38. C6H5OH G 0 94.11412 300.0 4000.0 6 1 6 0 39. C12H10 G 0 154.21350 300.0 5000.0 10 0 12 0 40. N2 G 0 28.01340 300.0 5000.0 0 0 0 2 41. N G 0 14.00670 300.0 5000.0 0 0 0 1 42. NO G 0 30.00610 300.0 5000.0 0 1 0 1 ------------------------------------------------------------------------------- (k = A T**b exp(-E/RT)) REACTIONS CONSIDERED A b E 1. C6H6+O2=C6H5O+OH 4.00E+13 0.0 34000.0 2. C6H6+C6H5=C12H10+H 4.00E+11 0.0 4000.0 3. C6H6=C6H5+H 5.00E+15 0.0 108000.0 4. C6H6+H=C6H5+H2 2.50E+14 0.0 16000.0 5. C6H6+O=C6H5O+H 2.78E+13 0.0 4910.0 6. C6H6+OH=C6H5+H2O 2.13E+13 0.0 4580.0 7. C4H3+M=C4H2+H+M 1.00E+16 0.0 60000.0 8. C6H5O=C5H5+CO 2.51E+11 0.0 43900.0 9. C6H5+O2=C6H5O+O 2.10E+12 0.0 7470.0 10. C6H5+HO2=C6H5O+OH 5.00E+13 0.0 1000.0 11. C6H5=C4H3+C2H2 4.50E+13 0.0 72530.0 12. C6H5OH=C6H5O+H 2.00E+16 0.0 88000.0 13. C6H5OH+H=C6H6+OH 2.20E+13 0.0 7910.0 14. C6H5OH+H=C6H5O+H2 1.15E+14 0.0 12400.0 15. C6H5OH+C5H5=C6H5O+C5H6 2.67E+14 0.0 25200.0 16. C5H6=C5H5+H 8.13E+24 -3.0 78682.0 17. C5H6+O2=C5H5O+OH 1.00E+13 0.0 20712.0 18. C6H5OH+OH=C6H5O+H2O 3.00E+13 0.0 0.0 19. C6H5OH+HO2=C6H5O+H2O2 3.00E+13 0.0 15000.0 20. C5H5O=C4H5+CO 3.00E+16 0.0 15000.0 21. C5H5+O=C5H5O 1.00E+13 0.0 0.0 22. C5H5+OH=C5H4OH+H 1.00E+13 0.0 0.0 23. C5H4OH=C4H4+HCO 1.00E+15 0.0 0.0 24. C5H5+HO2=C5H5O+OH 2.00E+13 0.0 0.0 25. 2C6H5=C12H10 3.10E+12 0.0 0.0 26. C4H5=C2H3+C2H2 1.40E+13 0.0 32900.0 27. C4H2+O=C2HO+C2H 1.00E+13 0.0 0.0 28. C4H2+O=CO+C3H2 1.20E+12 0.0 0.0 29. C4H2+OH=HCO+C3H2 3.00E+13 0.0 0.0 30. C2H4+M=C2H2+H2 9.33E+16 0.0 77200.0 31. C2H4+OH=C2H3+H2O 4.79E+12 0.0 1230.0 32. C2H4+O=CH3+HCO 3.31E+12 0.0 1130.0 33. C2H4+O=CH2O+CH2 2.51E+13 0.0 5000.0 34. C2H4+OH=CH3+CH2O 2.00E+12 0.0 960.0 35. C2H3+M=C2H2+H+M 3.00E+15 0.0 32000.0 36. C2H3+O2=CH2O+HCO 3.98E+12 0.0 -250.0 37. C2H3+H=C2H2+H2 6.00E+12 0.0 0.0 38. C2H3+OH=C2H2+H2O 5.00E+12 0.0 0.0 39. C2H3+CH2=C2H2+CH3 3.00E+13 0.0 0.0 40. C2H3+C2H=2C2H2 3.00E+13 0.0 0.0 41. C2H3+O=C2H2O+H 3.30E+13 0.0 0.0 42. CH2+CH2=C2H2+H2 4.00E+13 0.0 0.0 43. CH2+CH2=C2H3+H 5.00E+12 0.0 0.0 44. CH2+OH=CH+H2O 2.51E+11 0.7 25700.0 45. CH2+O=CH+OH 2.00E+11 0.7 25000.0 46. CH2+O2=CO2+2H 1.59E+12 0.0 1000.0 47. C2H2+M=C2H+H 4.17E+16 0.0 107000.0 48. C2H2+C2H2=C4H3+H 2.00E+12 0.0 45900.0 49. C2H2+O=CH2+CO 1.60E+14 0.0 9890.0 50. C2H2+O=C2HO+H 4.00E+14 0.0 10660.0 51. C2H2+OH=C2H+H2O 6.31E+12 0.0 7000.0 52. C2H2+OH=C2H2O+H 3.20E+11 0.0 200.0 53. C2H2+C2H=C4H2+H 3.00E+13 0.0 0.0 54. C2H2+CH2=C3H3+H 1.20E+13 0.0 6600.0 55. C3H4+M=C3H3+H+M 2.00E+17 0.0 65000.0 56. C2H2O+OH=CH2O+HCO 2.80E+13 0.0 0.0 57. C2H2O+OH=C2HO+H2O 7.50E+12 0.0 3000.0 58. C2H2O+H=CH3+CO 1.13E+13 0.0 3428.0 59. C2H2O+H=C2HO+H2 7.50E+13 0.0 8000.0 60. C2H2O+O=C2HO+OH 5.00E+13 0.0 8000.0 61. C2H2O+O=CH2O+CO 2.00E+13 0.0 0.0 62. C2H2O+M=CH2+CO+M 2.00E+16 0.0 60000.0 63. C2HO+O2=2CO+OH 1.46E+12 0.0 2500.0 64. C2HO+O=2CO+H 1.20E+12 0.0 0.0 65. C2HO+OH=2HCO 1.00E+13 0.0 0.0 66. C2HO+H=CH2+CO 5.00E+13 0.0 0.0 67. C2HO+CH2=C2H3+CO 3.00E+13 0.0 0.0 68. C2HO+CH2=CH2O+C2H 1.00E+13 0.0 2000.0 69. C2HO+C2HO=C2H2+2CO 1.00E+13 0.0 0.0 70. C2H+OH=C2HO+H 2.00E+13 0.0 0.0 71. C2H+O2=C2HO+O 5.00E+13 0.0 1500.0 72. C2H+O=CO+CH 5.00E+13 0.0 0.0 73. CH4+M=CH3+H+M 2.00E+17 0.0 88000.0 74. CH4+O2=CH3+HO2 7.94E+13 0.0 56000.0 75. CH4+H=CH3+H2 1.26E+14 0.0 11900.0 76. CH4+OH=CH3+H2O 2.50E+13 0.0 5010.0 77. CH4+O=CH3+OH 1.90E+14 0.0 11720.0 78. CH3+O2=CH3O+O 4.79E+13 0.0 29000.0 79. CH3+OH=CH3O+H 6.30E+12 0.0 0.0 80. CH3O+M=CH2O+H+M 5.00E+13 0.0 21000.0 81. CH3O+O2=CH2O+HO2 1.00E+12 0.0 6000.0 82. CH3O+H=CH2O+H2 2.00E+13 0.0 0.0 83. CH3+CH3=C2H4+H2 1.00E+16 0.0 32000.0 84. CH3+O=CH2O+H 1.29E+14 0.0 2000.0 85. CH3+CH2O=CH4+HCO 1.00E+10 0.5 6000.0 86. CH3+HCO=CH4+CO 3.00E+11 0.5 0.0 87. CH3+HO2=CH3O+OH 2.00E+13 0.0 0.0 88. CH2O+M=HCO+H+M 5.00E+16 0.0 76500.0 89. CH2O+OH=HCO+H2O 3.00E+13 0.0 1200.0 90. CH2O+H=HCO+H2 2.50E+13 0.0 3990.0 91. CH2O+O=HCO+OH 3.50E+13 0.0 3510.0 92. HCO+HO2=CH2O+O2 1.00E+14 0.0 3000.0 93. HCO+M=H+CO+M 2.94E+14 0.0 15570.0 94. HCO+O2=CO+HO2 3.31E+12 0.0 7000.0 95. HCO+OH=CO+H2O 1.00E+14 0.0 0.0 96. HCO+H=CO+H2 2.00E+14 0.0 0.0 97. HCO+O=CO+OH 1.00E+14 0.0 0.0 98. CH+O2=HCO+O 1.00E+13 0.0 0.0 99. CO+O+M=CO2+M 5.90E+15 0.0 4100.0 100. CO+O2=CO2+O 2.50E+12 0.0 47690.0 101. CO+OH=CO2+H 4.17E+11 0.0 1000.0 102. CO+HO2=CO2+OH 5.75E+13 0.0 22930.0 103. O+H2O=OH+OH 6.80E+13 0.0 18365.0 104. H+O2=OH+O 1.89E+14 0.0 16400.0 105. O+H2=OH+H 4.20E+14 0.0 13750.0 106. H+HO2=H2+O2 7.28E+13 0.0 2126.0 107. O+HO2=OH+O2 5.00E+13 0.0 1000.0 108. HO2+OH=H2O+O2 8.00E+12 0.0 0.0 109. H+HO2=OH+OH 1.34E+14 0.0 1070.0 110. H2+HO2=H2O2+H 7.91E+13 0.0 25000.0 111. OH+H2O2=H2O+HO2 6.10E+12 0.0 1430.0 112. HO2+HO2=H2O2+O2 1.80E+12 0.0 0.0 113. H+H2O2=OH+H2O 7.80E+11 0.0 0.0 114. H2O2+M=OH+OH+M 1.44E+17 0.0 45510.0 H2 Enhanced by 2.300E+00 O2 Enhanced by 7.800E-01 H2O Enhanced by 6.000E+00 H2O2 Enhanced by 6.600E+00 115. H2+OH=H2O+H 4.74E+13 0.0 6098.0 116. H+O2+M=HO2+M 1.46E+15 0.0 -1000.0 H2 Enhanced by 3.000E+00 O2 Enhanced by 1.300E+00 H2O Enhanced by 2.130E+01 CO2 Enhanced by 7.000E+00 C6H6 Enhanced by 2.000E+01 CH4 Enhanced by 5.000E+00 117. H2O+M=H+OH+M 1.30E+15 0.0 105140.0 H2 Enhanced by 4.000E+00 O2 Enhanced by 1.500E+00 H2O Enhanced by 2.000E+01 CO2 Enhanced by 4.000E+00 C6H6 Enhanced by 2.000E+01 118. H+O+M=OH+M 7.10E+18 -1.0 0.0 119. H2+M=H+H+M 2.20E+14 0.0 96000.0 H2 Enhanced by 4.100E+00 O2 Enhanced by 2.000E+00 H2O Enhanced by 1.500E+01 120. O2+M=O+O+M 1.80E+18 -1.0 118000.0 121. O+N2=NO+N 1.84E+14 0.0 76250.0 122. N+O2=NO+O 6.40E+09 1.0 6280.0 123. H+NO=N+OH 2.22E+14 0.0 50500.0 124. N2+M=N+N+M 3.71E+21 -1.6 224928.0 N2 Enhanced by 1.000E+00 NOTE: A units mole-cm-sec-K, E units cal/mole NO ERRORS FOUND ON INPUT...CHEMKIN LINKING FILE WRITTEN. WORKING SPACE REQUIREMENTS ARE INTEGER: 2247 REAL: 2351 CHARACTER: 46