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 5. AR 39.9480 -------------------- ------------------------------------------------------------------------------- C P H H A A R SPECIES S G MOLECULAR TEMPERATURE ELEMENT COUNT CONSIDERED E E WEIGHT LOW HIGH H O C N AR ------------------------------------------------------------------------------- 1. H G 0 1.00797 300.0 5000.0 1 0 0 0 0 2. H2 G 0 2.01594 300.0 5000.0 2 0 0 0 0 3. O G 0 15.99940 300.0 5000.0 0 1 0 0 0 4. O2 G 0 31.99880 300.0 5000.0 0 2 0 0 0 5. OH G 0 17.00737 300.0 5000.0 1 1 0 0 0 6. H2O G 0 18.01534 300.0 5000.0 2 1 0 0 0 7. HO2 G 0 33.00677 300.0 5000.0 1 2 0 0 0 8. H2O2 G 0 34.01474 300.0 5000.0 2 2 0 0 0 9. N2 G 0 28.01340 300.0 5000.0 0 0 0 2 0 10. AR G 0 39.94800 300.0 5000.0 0 0 0 0 1 11. CH G 0 13.01912 300.0 5000.0 1 0 1 0 0 12. CH2CO G 0 42.03764 300.0 5000.0 2 1 2 0 0 13. C2H2 G 0 26.03824 300.0 5000.0 2 0 2 0 0 14. C3H2 G 0 38.04939 150.0 4000.0 2 0 3 0 0 15. C2H4 G 0 28.05418 300.0 5000.0 4 0 2 0 0 16. C G 0 12.01115 300.0 5000.0 0 0 1 0 0 17. C2H5 G 0 29.06215 300.0 5000.0 5 0 2 0 0 18. C2H3 G 0 27.04621 300.0 5000.0 3 0 2 0 0 19. C2H G 0 25.03027 300.0 4000.0 1 0 2 0 0 20. HCCOH G 0 42.03764 300.0 4000.0 2 1 2 0 0 21. HCCO G 0 41.02967 300.0 4000.0 1 1 2 0 0 22. C2H6 G 0 30.07012 300.0 4000.0 6 0 2 0 0 23. C5H3 G 0 63.07966 300.0 5000.0 3 0 5 0 0 24. C4H2 G 0 50.06054 300.0 5000.0 2 0 4 0 0 25. C5H2 G 0 62.07169 300.0 5000.0 2 0 5 0 0 26. C6H2 G 0 74.08284 300.0 5000.0 2 0 6 0 0 27. CH2 G 0 14.02709 250.0 4000.0 2 0 1 0 0 28. CH2(S) G 0 14.02709 300.0 4000.0 2 0 1 0 0 29. CO G 0 28.01055 300.0 5000.0 0 1 1 0 0 30. CO2 G 0 44.00995 300.0 5000.0 0 2 1 0 0 31. HCO G 0 29.01852 300.0 5000.0 1 1 1 0 0 32. CH2O G 0 30.02649 300.0 5000.0 2 1 1 0 0 33. CH3O G 0 31.03446 300.0 3000.0 3 1 1 0 0 34. CH2OH G 0 31.03446 250.0 4000.0 3 1 1 0 0 35. CH3OH G 0 32.04243 300.0 5000.0 4 1 1 0 0 36. CH3 G 0 15.03506 300.0 5000.0 3 0 1 0 0 37. CH4 G 0 16.04303 300.0 5000.0 4 0 1 0 0 38. C3H3 G 0 39.05736 200.0 6000.0 3 0 3 0 0 39. C4H3 G 0 51.06851 298.1 6000.0 3 0 4 0 0 ------------------------------------------------------------------------------- (k = A T**b exp(-E/RT)) REACTIONS CONSIDERED A b E 1. CH3+CH3(+M)=C2H6(+M) 9.03E+16 -1.2 653.0 Low pressure limit: 0.31800E+42 -0.70300E+01 0.27620E+04 TROE centering: 0.60410E+00 0.69270E+04 0.13200E+03 H2 Enhanced by 2.000E+00 CO Enhanced by 2.000E+00 CO2 Enhanced by 3.000E+00 H2O Enhanced by 5.000E+00 2. CH3+H(+M)=CH4(+M) 6.00E+16 -1.0 0.0 Low pressure limit: 0.80000E+27 -0.30000E+01 0.00000E+00 H2 Enhanced by 2.000E+00 CO Enhanced by 2.000E+00 CO2 Enhanced by 3.000E+00 H2O Enhanced by 5.000E+00 3. CH4+O2=CH3+HO2 7.90E+13 0.0 56000.0 4. CH4+H=CH3+H2 2.20E+04 3.0 8750.0 5. CH4+OH=CH3+H2O 1.60E+06 2.1 2460.0 6. CH4+HO2=CH3+H2O2 1.80E+11 0.0 18700.0 7. CH3+HO2=CH3O+OH 2.00E+13 0.0 0.0 8. CH3+O=CH2O+H 6.80E+13 0.0 0.0 9. CH3+O2=CH3O+O 2.05E+19 -1.6 29229.0 10. CH2OH+H=CH3+OH 1.00E+14 0.0 0.0 11. CH3O+H=CH3+OH 1.00E+14 0.0 0.0 12. CH3+OH=CH2+H2O 7.50E+06 2.0 5000.0 13. CH3+H=CH2+H2 9.00E+13 0.0 15100.0 14. CH3O+M=CH2O+H+M 1.00E+14 0.0 25000.0 15. CH2OH+M=CH2O+H+M 1.00E+14 0.0 25000.0 16. CH3O+H=CH2O+H2 2.00E+13 0.0 0.0 17. CH2OH+H=CH2O+H2 2.00E+13 0.0 0.0 18. CH3O+OH=CH2O+H2O 1.00E+13 0.0 0.0 19. CH2OH+OH=CH2O+H2O 1.00E+13 0.0 0.0 20. CH3O+O=CH2O+OH 1.00E+13 0.0 0.0 21. CH2OH+O=CH2O+OH 1.00E+13 0.0 0.0 22. CH3O+O2=CH2O+HO2 6.30E+10 0.0 2600.0 23. CH2OH+O2=CH2O+HO2 1.48E+13 0.0 1500.0 24. CH2+H=CH+H2 1.00E+18 -1.6 0.0 25. CH2+OH=CH+H2O 1.13E+07 2.0 3000.0 26. CH2+OH=CH2O+H 2.50E+13 0.0 0.0 27. CH+O2=HCO+O 3.30E+13 0.0 0.0 28. CH+O=CO+H 5.70E+13 0.0 0.0 29. CH+OH=HCO+H 3.00E+13 0.0 0.0 30. CH+CO2=HCO+CO 3.40E+12 0.0 690.0 31. CH+H=C+H2 1.50E+14 0.0 0.0 32. CH+H2O=CH2O+H 4.57E+14 -0.8 0.0 33. CH+CH2O=CH2CO+H 9.46E+13 0.0 -515.0 34. CH+C2H2=C3H2+H 1.00E+14 0.0 0.0 35. CH+CH2=C2H2+H 4.00E+13 0.0 0.0 36. CH+CH3=C2H3+H 3.00E+13 0.0 0.0 37. CH+CH4=C2H4+H 6.00E+13 0.0 0.0 38. C+O2=CO+O 2.00E+13 0.0 0.0 39. C+OH=CO+H 5.00E+13 0.0 0.0 40. C+CH3=C2H2+H 5.00E+13 0.0 0.0 41. C+CH2=C2H+H 5.00E+13 0.0 0.0 42. CH2+CO2=CH2O+CO 1.10E+11 0.0 1000.0 43. CH2+O=CO+H+H 5.00E+13 0.0 0.0 44. CH2+O=CO+H2 3.00E+13 0.0 0.0 45. CH2+O2=CO2+H+H 1.60E+12 0.0 1000.0 46. CH2+O2=CH2O+O 5.00E+13 0.0 9000.0 47. CH2+O2=CO2+H2 6.90E+11 0.0 500.0 48. CH2+O2=CO+H2O 1.90E+10 0.0 -1000.0 49. CH2+O2=CO+OH+H 8.60E+10 0.0 -500.0 50. CH2+O2=HCO+OH 4.30E+10 0.0 -500.0 51. CH2O+OH=HCO+H2O 3.43E+09 1.2 -447.0 52. CH2O+H=HCO+H2 2.19E+08 1.8 3000.0 53. CH2O+M=HCO+H+M 3.31E+16 0.0 81000.0 54. CH2O+O=HCO+OH 1.80E+13 0.0 3080.0 55. HCO+OH=H2O+CO 1.00E+14 0.0 0.0 56. HCO+M=H+CO+M 2.50E+14 0.0 16802.0 CO Enhanced by 1.870E+00 H2 Enhanced by 1.870E+00 CH4 Enhanced by 2.810E+00 CO2 Enhanced by 3.000E+00 H2O Enhanced by 5.000E+00 57. HCO+H=CO+H2 1.19E+13 0.2 0.0 58. HCO+O=CO+OH 3.00E+13 0.0 0.0 59. HCO+O=CO2+H 3.00E+13 0.0 0.0 60. HCO+O2=HO2+CO 3.30E+13 -0.4 0.0 61. CO+O+M=CO2+M 6.17E+14 0.0 3000.0 62. CO+OH=CO2+H 1.51E+07 1.3 -758.0 63. CO+O2=CO2+O 1.60E+13 0.0 41000.0 64. HO2+CO=CO2+OH 5.80E+13 0.0 22934.0 65. C2H6+CH3=C2H5+CH4 5.50E-01 4.0 8300.0 66. C2H6+H=C2H5+H2 5.40E+02 3.5 5210.0 67. C2H6+O=C2H5+OH 3.00E+07 2.0 5115.0 68. C2H6+OH=C2H5+H2O 8.70E+09 1.1 1810.0 69. C2H4+H=C2H3+H2 1.10E+14 0.0 8500.0 70. C2H4+O=CH3+HCO 1.60E+09 1.2 746.0 71. C2H4+OH=C2H3+H2O 2.02E+13 0.0 5955.0 72. CH2+CH3=C2H4+H 3.00E+13 0.0 0.0 73. H+C2H4(+M)=C2H5(+M) 2.21E+13 0.0 2066.0 Low pressure limit: 0.63700E+25 -0.27600E+01 -0.54000E+02 H2 Enhanced by 2.000E+00 CO Enhanced by 2.000E+00 CO2 Enhanced by 3.000E+00 H2O Enhanced by 5.000E+00 74. C2H5+H=CH3+CH3 3.60E+13 0.0 0.0 75. C2H5+O2=C2H4+HO2 8.43E+11 0.0 3875.0 76. C2H2+O=CH2+CO 1.02E+07 2.0 1900.0 77. C2H2+O=HCCO+H 1.02E+07 2.0 1900.0 78. H2+C2H=C2H2+H 4.09E+05 2.4 864.0 79. H+C2H2(+M)=C2H3(+M) 5.54E+12 0.0 2410.0 Low pressure limit: 0.26800E+28 -0.35000E+01 0.24100E+04 H2 Enhanced by 2.000E+00 CO Enhanced by 2.000E+00 CO2 Enhanced by 3.000E+00 H2O Enhanced by 5.000E+00 80. C2H3+H=C2H2+H2 4.00E+13 0.0 0.0 81. C2H3+O=CH2CO+H 3.00E+13 0.0 0.0 82. C2H3+O2=CH2O+HCO 4.00E+12 0.0 -250.0 83. C2H3+OH=C2H2+H2O 5.00E+12 0.0 0.0 84. C2H3+CH2=C2H2+CH3 3.00E+13 0.0 0.0 85. C2H3+C2H=C2H2+C2H2 3.00E+13 0.0 0.0 86. C2H3+CH=CH2+C2H2 5.00E+13 0.0 0.0 87. OH+C2H2=C2H+H2O 2.05E+06 2.3 12000.0 88. OH+C2H2=HCCOH+H 5.05E+05 2.3 12000.0 89. OH+C2H2=CH2CO+H 1.58E+03 2.5 2500.0 90. OH+C2H2=CH3+CO 1.50E+02 2.5 2500.0 91. HCCOH+H=CH2CO+H 1.00E+13 0.0 0.0 92. C2H2+O=C2H+OH 3.16E+15 -0.6 15000.0 93. CH2CO+O=CO2+CH2 1.75E+12 0.0 1350.0 94. CH2CO+H=CH3+CO 1.13E+13 0.0 3428.0 95. CH2CO+H=HCCO+H2 5.00E+13 0.0 8000.0 96. CH2CO+O=HCCO+OH 1.00E+13 0.0 8000.0 97. CH2CO+OH=HCCO+H2O 7.50E+12 0.0 2000.0 98. CH2CO(+M)=CH2+CO(+M) 3.00E+14 0.0 70980.0 Low pressure limit: 0.36000E+16 0.00000E+00 0.59270E+05 99. C2H+O2=CO+CO+H 5.00E+13 0.0 1500.0 100. C2H+C2H2=C4H2+H 3.00E+13 0.0 0.0 101. H+HCCO=CH2(S)+CO 1.00E+14 0.0 0.0 102. O+HCCO=H+CO+CO 1.00E+14 0.0 0.0 103. HCCO+O2=CO+CO+OH 1.60E+12 0.0 854.0 104. CH+HCCO=C2H2+CO 5.00E+13 0.0 0.0 105. HCCO+HCCO=C2H2+CO+CO 1.00E+13 0.0 0.0 106. CH2(S)+M=CH2+M 1.00E+13 0.0 0.0 H Enhanced by 0.000E+00 107. CH2(S)+CH4=CH3+CH3 4.00E+13 0.0 0.0 108. CH2(S)+C2H6=CH3+C2H5 1.20E+14 0.0 0.0 109. CH2(S)+O2=CO+OH+H 3.00E+13 0.0 0.0 110. CH2(S)+H2=CH3+H 7.00E+13 0.0 0.0 111. CH2(S)+H=CH2+H 2.00E+14 0.0 0.0 112. C2H+O=CH+CO 5.00E+13 0.0 0.0 113. C2H+OH=HCCO+H 2.00E+13 0.0 0.0 114. CH2+CH2=C2H2+H2 4.00E+13 0.0 0.0 115. CH2+HCCO=C2H3+CO 3.00E+13 0.0 0.0 116. CH2+C2H2=C3H3+H 1.20E+13 0.0 6600.0 117. C4H2+OH=C3H2+HCO 6.66E+12 0.0 -410.0 118. C3H2+O2=HCO+HCCO 1.00E+13 0.0 0.0 119. C3H3+O2=CH2CO+HCO 3.00E+10 0.0 2868.0 120. C3H3+O=CH2O+C2H 2.00E+13 0.0 0.0 121. C3H3+OH=C3H2+H2O 2.00E+13 0.0 0.0 122. C2H2+C2H2=C4H3+H 2.00E+12 0.0 45900.0 123. C4H3+M=C4H2+H+M 1.00E+16 0.0 59700.0 124. CH2+C4H2=C5H3+H 1.30E+13 0.0 4326.0 125. CH+C4H2=C5H2+H 1.00E+14 0.0 0.0 126. CH2(S)+C2H2=C3H3+H 3.00E+13 0.0 0.0 127. CH2(S)+C4H2=C5H3+H 3.00E+13 0.0 0.0 128. C4H2+O=C3H2+CO 1.20E+12 0.0 0.0 129. C4H2+C2H=C6H2+H 4.00E+13 0.0 0.0 130. C2H2+O2=HCCO+OH 2.00E+08 1.5 30100.0 131. C2H2+M=C2H+H+M 4.20E+16 0.0 107000.0 132. C2H4+M=C2H2+H2+M 1.50E+15 0.0 55800.0 133. C2H4+M=C2H3+H+M 1.40E+15 0.0 82360.0 134. H+H+CO2=H2+CO2 5.49E+20 -2.0 0.0 135. H2+O2=2OH 1.70E+13 0.0 47780.0 136. OH+H2=H2O+H 1.17E+09 1.3 3626.0 137. O+OH=O2+H 4.00E+14 -0.5 0.0 138. O+H2=OH+H 5.06E+04 2.7 6290.0 139. H+O2+M=HO2+M 3.61E+17 -0.7 0.0 H2O Enhanced by 1.860E+01 CO2 Enhanced by 4.200E+00 H2 Enhanced by 2.860E+00 CO Enhanced by 2.110E+00 N2 Enhanced by 1.260E+00 140. OH+HO2=H2O+O2 7.50E+12 0.0 0.0 141. H+HO2=OH+OH 1.40E+14 0.0 1073.0 142. O+HO2=O2+OH 1.40E+13 0.0 1073.0 143. 2OH=O+H2O 6.00E+08 1.3 0.0 144. H+H+M=H2+M 1.00E+18 -1.0 0.0 145. H+H+H2=H2+H2 9.20E+16 -0.6 0.0 146. H+H+H2O=H2+H2O 6.00E+19 -1.2 0.0 147. H+OH+M=H2O+M 1.60E+22 -2.0 0.0 H2O Enhanced by 5.000E+00 148. H+O+M=OH+M 6.20E+16 -0.6 0.0 H2O Enhanced by 5.000E+00 149. O+O+M=O2+M 1.89E+13 0.0 -1788.0 150. H+HO2=H2+O2 1.25E+13 0.0 0.0 151. HO2+HO2=H2O2+O2 2.00E+12 0.0 0.0 152. H2O2+M=OH+OH+M 1.30E+17 0.0 45500.0 153. H2O2+H=HO2+H2 1.60E+12 0.0 3800.0 154. H2O2+OH=H2O+HO2 1.00E+13 0.0 1800.0 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: 2736 REAL: 2656 CHARACTER: 44