MechGen ! Thu Jan 20 21:01:16 2000 PST ! PARMS 29 OHRR OHNR OHR2 OHQ2 OHCO OHA2 OHXC N3Q2 N3XN HVa3 HVQY HVRH HVRR HVCO HVA2 OHA1 OHA3 OHGL N3XC HVNR HVA3 HVXC OHK3 HVK3 OHMG HVTO OHME HVA1 HVQ2 ! ! MechGen conditions : ! MechGen_version= SAPRC99C; temperature= 300.0; pressure= 1.0; O2_fac= 0.2094 ! 6; de_minimus_yield= 0.01; no_HORONO2_from_alkanes= 0; mech_asn_set= SAPRC-9 ! 8 Mechanistic Assignments; lumping= SAPRC-99B Lumping ! PROPALD : CH3-CH2-CHO ! K(OH) 2.000e-11 ! kOH for T=298 only. ! kOH from: IUPAC recommendation (Atkinson et al, 1997a) OHRR 0.034 ! RO2-R. OHNR 0.002 ! RO2-N. OHR2 0.000 ! R2O2. OHQ2 0.965 ! RCO-O2. OHCO 0.034 ! CO OHA2 0.034 ! CCHO OHXC -0.005 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:49:55 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:49:56 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 1.000 ! HO2. HVRR 1.000 ! RO2-R. HVCO 1.000 ! CO HVA2 1.000 ! CCHO ! HV reaction generated Thu Jan 20 20:49:56 2000 PST ! 1C4RCHO : CH3-CH2-CH2-CHO ! K(OH) 5.260e-12 -0.886 0.00 ! kOH from: Atkinson (1989) OHRR 0.088 ! RO2-R. OHNR 0.008 ! RO2-N. OHR2 0.015 ! R2O2. OHQ2 0.905 ! RCO-O2. OHCO 0.052 ! CO OHA1 0.014 ! HCHO OHA2 0.015 ! CCHO OHA3 0.073 ! RCHO OHGL 0.001 ! GLY OHXC 0.924 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:49:57 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 1.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:49:57 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 1.000 ! HO2. HVRR 0.980 ! RO2-R. HVNR 0.020 ! RO2-N. HVCO 1.000 ! CO HVA3 0.980 ! RCHO HVXC -0.060 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:49:58 2000 PST ! 2MEC3AL : CH3-CH(CHO)-CH3 ! K(OH) 6.610e-12 -0.817 0.00 ! kOH from: Atkinson (1989) OHRR 0.082 ! RO2-R. OHNR 0.004 ! RO2-N. OHR2 0.011 ! R2O2. OHQ2 0.914 ! RCO-O2. OHCO 0.078 ! CO OHA1 0.011 ! HCHO OHA2 0.011 ! CCHO OHA3 0.004 ! RCHO OHK3 0.067 ! ACET OHXC 0.910 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:49:59 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 1.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:49:59 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 1.000 ! HO2. HVRR 0.960 ! RO2-R. HVNR 0.040 ! RO2-N. HVCO 1.000 ! CO HVK3 0.960 ! ACET HVXC -0.120 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:50:00 2000 PST ! 1C5RCHO : CH3-CH2-CH2-CH2-CHO ! K(OH) 6.340e-12 -0.890 0.00 ! kOH from: Atkinson (1989) OHRR 0.089 ! RO2-R. OHNR 0.018 ! RO2-N. OHR2 0.080 ! R2O2. OHQ2 0.893 ! RCO-O2. OHCO 0.043 ! CO OHA1 0.011 ! HCHO OHA2 0.021 ! CCHO OHA3 0.087 ! RCHO OHGL 0.000 ! GLY OHMG 0.002 ! MGLY OHXC 1.851 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:50:02 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 2.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:50:03 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 0.245 ! HO2. HVRR 1.686 ! RO2-R. HVNR 0.069 ! RO2-N. HVCO 1.000 ! CO HVA3 0.931 ! RCHO HVXC 0.792 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:50:04 2000 PST ! 22DMC3AL : CH3-C(CH3)(CHO)-CH3 ! K(OH) 6.820e-12 -0.805 0.00 ! kOH from: Atkinson (1989) OHRR 0.023 ! RO2-R. OHNR 0.003 ! RO2-N. OHR2 0.024 ! R2O2. OHQ2 0.974 ! RCO-O2. OHCO 0.023 ! CO OHA1 0.024 ! HCHO OHA3 0.001 ! RCHO OHK3 0.023 ! ACET OHXC 1.946 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:50:05 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 2.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:50:05 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 0.039 ! HO2. HVRR 0.961 ! RO2-R. HVNR 0.039 ! RO2-N. HVTO 0.961 ! TBU-O. HVCO 1.000 ! CO HVXC 0.882 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:50:05 2000 PST ! 3MC4RCHO : CH3-CH(CH3)-CH2-CHO ! K(OH) 2.740e-11 ! kOH for T=298 only. ! kOH from: Atkinson (1989) OHRR 0.129 ! RO2-R. OHNR 0.012 ! RO2-N. OHR2 0.112 ! R2O2. OHME 0.002 ! C-O2. OHQ2 0.856 ! RCO-O2. OHCO 0.125 ! CO OHA1 0.092 ! HCHO OHA2 0.000 ! CCHO OHA3 0.036 ! RCHO OHK3 0.096 ! ACET OHGL 0.004 ! GLY OHXC 1.736 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:50:07 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 2.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:50:08 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 0.652 ! HO2. HVRR 1.294 ! RO2-R. HVNR 0.053 ! RO2-N. HVCO 1.000 ! CO HVA1 0.348 ! HCHO HVA3 0.613 ! RCHO HVK3 0.334 ! ACET HVXC 0.492 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:50:09 2000 PST ! GLTRALD : HCO-CH2-CH2-CH2-CHO ! K(OH) 4.160e-11 ! kOH for T=300 only. ! kOH from: Estimated for T=300K OHRR 0.040 ! RO2-R. OHNR 0.009 ! RO2-N. OHR2 0.051 ! R2O2. OHQ2 0.951 ! RCO-O2. OHCO 0.033 ! CO OHA1 0.023 ! HCHO OHA3 0.040 ! RCHO OHGL 0.001 ! GLY OHXC 1.915 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:50:10 2000 PST ! K(N3) 7.600e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 2.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:50:10 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 0.039 ! HO2. HVRR 0.961 ! RO2-R. HVNR 0.039 ! RO2-N. HVQ2 0.961 ! RCO-O2. HVCO 1.000 ! CO HVXC 0.882 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:50:11 2000 PST ! 1C6RCHO : CH3-CH2-CH2-CH2-CH2-CHO ! K(OH) 2.426e-11 ! kOH for T=300 only. ! kOH from: Estimated for T=300K OHRR 0.112 ! RO2-R. OHNR 0.040 ! RO2-N. OHR2 0.154 ! R2O2. OHQ2 0.848 ! RCO-O2. OHCO 0.014 ! CO OHA1 0.002 ! HCHO OHA3 0.103 ! RCHO OHGL 0.000 ! GLY OHMG 0.018 ! MGLY OHXC 2.834 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:50:16 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 3.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:50:16 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 0.065 ! HO2. HVRR 1.809 ! RO2-R. HVNR 0.126 ! RO2-N. HVCO 1.000 ! CO HVA3 0.874 ! RCHO HVXC 1.623 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:50:17 2000 PST ! 1C7RCHO : CH3-CH2-CH2-CH2-CH2-CH2-CHO ! K(OH) 2.568e-11 ! kOH for T=300 only. ! kOH from: Estimated for T=300K OHRR 0.136 ! RO2-R. OHNR 0.067 ! RO2-N. OHR2 0.191 ! R2O2. OHQ2 0.797 ! RCO-O2. OHCO 0.009 ! CO OHA3 0.118 ! RCHO OHMG 0.017 ! MGLY OHXC 3.790 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:50:23 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 4.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:50:24 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 0.098 ! HO2. HVRR 1.717 ! RO2-R. HVNR 0.186 ! RO2-N. HVCO 1.000 ! CO HVA3 0.814 ! RCHO HVXC 2.443 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:50:25 2000 PST ! 1C8RCHO : CH3-CH2-CH2-CH2-CH2-CH2-CH2-CHO ! K(OH) 2.710e-11 ! kOH for T=300 only. ! kOH from: Estimated for T=300K OHRR 0.164 ! RO2-R. OHNR 0.096 ! RO2-N. OHR2 0.219 ! R2O2. OHQ2 0.740 ! RCO-O2. OHCO 0.008 ! CO OHA3 0.149 ! RCHO OHMG 0.015 ! MGLY OHXC 4.704 ! C bal. calc. ! OH reaction generated Thu Jan 20 20:50:35 2000 PST ! K(N3) 3.800e-15 ! kNO3 for T=300 only. ! kNO3 from: Estimated for T=300K N3Q2 1.000 ! RCO-O2. N3XC 5.000 ! C bal. calc. N3XN 1.000 ! N bal. calc. ! NO3 reaction generated Thu Jan 20 20:50:35 2000 PST ! HVa3 1.0 ! C2CHO HVQY 1.00e+0 HVRH 0.135 ! HO2. HVRR 1.613 ! RO2-R. HVNR 0.252 ! RO2-N. HVCO 1.000 ! CO HVA3 0.748 ! RCHO HVXC 3.244 ! C bal. calc. ! HV reaction generated Thu Jan 20 20:50:37 2000 PST