! PARMLUMP.LPC ! Lumping control file for deriving mechanistic parameters to represent ! species in an extended version of the condensed mechanism. ! Similar to EMITLUMP.LPC in terms of lumping of alkanes/others, ! aromatics and ketones, but has separate lumped parameter groups for ! terpenes, higher aldehydes, ketones, and acroleins. ! ! For example, this can be used to derive appropriate parameters for ! mixtures of terpenes. ! ! Rate constants are output in molec-cm-sec units to permit for use ! in preparing mechanism parameter and reaction files. Not appropriate for ! use with LUMPINT, which requires rate constants in ppm-1 min-1 units. ! INTFMT PREFIX R2# ! TEMP 300.0 ! ! Use IntOH of 110 ppt-min as used for RADM-2 (Middleton et al, 1990). INTOH 110. ! ! Rate constants output in molec-cm-sec units. NOPPM ! ! ! List and names of explicit and non-lumped-parameter 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 6 116.16 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 70.09 MVK 4 70.09 ISO-PROD 5 100.12 MEOH 1 32.04 HCOOH 1 46.03 CCO-OH 2 60.05 RCO-OH 3 74.08 CH4 1 16.04 ETHENE 2 28.05 ISOPRENE 5 68.12 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 FORMACID HCOOH ACETACID CCO-OH PROPACID RCO-OH END ! ! Specifications controlling lumping of Alkanes. No reactivity ! weighting used. ! GROUP 1 ALK1 A1 0 1.36e-13 ! 2.0E+2 Ethane GROUP 1 ALK2 A2 0 3.41e-13 ! 5.0E+2 Propane 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 ! PARM 1 0 ALKOTH.GNA PARM 1 0 AsnOth.GNA PARM 1 0 ACTYL-OH.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. ! ARO1 VOCs reacting more rapidly as toluene weighted equally with ! toluene. ! No rate constant weighing is used for the more reactive class. ! GROUP 2 ARO1 B1 3 0.0 5.91e-12 ! 8.669E+3 GROUP 2 ARO2 B2 0 1.36e-11 ! 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 ! 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 ! ! Higher aldehydes, ketones, and acroleins are each lumped in ! separate classes. ! GROUP 5 ALD1 L1 0 PARM 5 0 ALDES.GNA ! GROUP 6 KET1 K1 0 PARM 6 0 KETONES.GNA ! GROUP 7 ACR1 R1 0 PARM 7 0 ACROLS.GNA ! ! "Lumped molecule" and name substitutions. ! REPLACE LUMPMOLE.LPM ! ! Definitions of mixtures in DMS list. ! MIXDEF MIXES.LPM ! ! End of file.