! BASELUMP.LPC ! FOR USE WITH "BASE CASE" MIXTURES IN REACTIVITY CALCULATIONS. ! ! USES LUMPING CONSISTENT WITH RADM-2 EMISSIONS LUMPINT ! ! ! INTFMT PREFIX R2# ! TEMP 300.0 ! INTOH 110. ! NOPPM ! ! ! List and names of explicit model species. ! SPECIES CO 1 28.01 HCHO 1 30.03 CCHO 2 44.05 RCHO 3 58.08 ACET 3 58.08 MEK 4 72.11 PROD2 6 RNO3 5 133.15 PAN 2 121.05 PPN 3 135.08 BALD 7 106.13 PBZN 7 183.13 PHEN 6 94.11 CRES 7 108.14 NPHE 6 139.11 GLY 2 58.04 GPAN 2 135.04 MGLY 3 72.07 AFG1 2 58.04 AFG2 3 72.07 METHACRO 4 MVK 4 ISO-PROD 5 MEOH 1 HCOOH 1 CCO-OH 2 RCO-OH 3 CH4 1 16.04 ETHENE 2 ISOPRENE 5 TERP 10 END ! REPLACE FORMALD HCHO ACETALD CCHO PROPALD RCHO ACETONE ACET PHENOL PHEN CRESOL CRES BENZALD BALD GLYOXAL GLY MEGLYOX MGLY M-CRESOL CRES O-CRESOL CRES P-CRESOL CRES METHANE CH4 END ! ! Specifications controlling lumping of Alkanes: Those reacting ! slower than 1.0E+4 ppm-1 min-1 are lumped in the slower class, ! with rate constant weighing, and those reacting faster are lumped ! in the second class, without rate constant weighing. For SCAB ! emissions, this amounts to approximately equal OH reactivity in ! each lumped alkane group. ! ! GROUP 1 ALK1 A1 0 1.36E-13 ! 2.0E+2 ! GROUP 1 ALK2 A2 0 3.41e-13 ! 5.0E+2 ! GROUP 1 ALK3 A3 0 1.70e-12 ! 2.5e+3 ! GROUP 1 ALK4 A4 0 3.41e-12 ! 5.0E+3 ! GROUP 1 ALK5 A5 0 6.81e-12 ! 1.0E+4 ! GROUP 1 ALK1 A1 0 2.0E+2 GROUP 1 ALK2 A2 0 5.0E+2 GROUP 1 ALK3 A3 0 2.5e+3 GROUP 1 ALK4 A4 0 5.0E+3 GROUP 1 ALK5 A5 0 1.0E+4 ! PARM 1 0 ALKOTH.GNA PARM 1 0 ACTYL-OH.GNA PARM 1 0 AsnOth.GNA ! ! Specifications of lumping of the Aromatics: Those reacting slower ! than 2.0E+4 (benzene and mono-alkylbenzenes) are in the first ! lumped aromatic class, the more reactive ones in the second. Rate ! constant weighing is used for the less reactive class, with the ! OH rate constant forced to be that appropriate for toluene. No ! rate constant weighing is used for the more reactive class. ! ! The second two of the four alkane/aromatic lumped groups ! in this mechanism are used for the aromatics. ! ! GROUP 2 ARO1 B1 3 0.0 5.91e-12 ! 8.669E+3 ! GROUP 2 ARO2 B2 0 1.36e-11 ! 2.0E+4 ! GROUP 2 ARO1 B1 3 0.0 8.669E+3 GROUP 2 ARO2 B2 0 2.0E+4 ! PARM 2 0 AROMATIC.GNA PARM 2 0 AsnAro.GNA ! ! Alkenes: Those reacting slower than 7.0E+4 (1-alkenes, mainly) ! are lumped in the first lumped the class, the rest in the second. ! Ethene is represented explicitly. ! ! GROUP 3 OLE1 O1 0 ! GROUP 3 OLE2 O2 0 4.77e-11 ! 7.0E+4 ! GROUP 3 OLE1 O1 0 GROUP 3 OLE2 O2 0 7.0E+4 ! PARM 3 0 ALKENES.GNA PARM 3 0 AsnAlke.GNA ! ! Terpenes: Lumped in a separate class ! ! GROUP 4 TRP1 T1 0 ! PARM 4 0 TERPENES.GNA ! ! GROUP 5 ALD1 L1 0 ! PARM 5 0 ALDES.GNA ! ! GROUP 6 KET1 K1 0 ! GROUP 6 KET2 K2 0 5.0E-12 ! 7.34E+3 ! PARM 6 0 KETONES.GNA ! ! GROUP 7 ACR1 R1 0 ! PARM 7 0 ACROLS.GNA ! ! "Lumped molecule" substituteions used for base mixtures only. ! REPLACE EMITLUMP.LPM ! ! ! Standard "Lumped molecule" and name substitutions. ! REPLACE LUMPMOLE.LPM ! ! Translation table for "old" model names. ! REPLACE OLDNAMES.LPM ! ! Definitions of mixtures inDMS list. ! MIXDEF MIXES.LPM ! ! End of file.