AIRSHED REACTIONS OF LUMPED SURROGATE + MIXTURE ! ! SARMAP LUMPING, ISOPRENE EXPLICIT. FOR REACTIVITY CALCS. ! ! Based on model used for airshed-type reactivity calculations. ! Intended for simple simulations. Use AIRLMPBS for base case ! reactivity simulations. Use AIRLMPxx for test mixture ! calculations. ! AIRSHED ! ! Default temperature: ! TEMP 300. ! ! Maximum number of variable coefficients need to be specified if they ! exceed ~400 ! MAXVCO 2400 ! ! Order of active species printed in output files. .ACT = O3 + NO + NO2 + HO. = CO + SO2 + HCHO + CCHO + RCHO + ACET + MEK + MEOH + COOH = ROOH + GLY + MGLY + BACL + PHEN + CRES + NPHE + BALD = METHACRO + MVK + ISO-PROD + PROD2 + RNO3 + DCB1 + DCB2 + DCB3 = ETHENE + ISOPRENE + ALK1 + ALK2 + ALK3 + ALK4 + ALK5 = ARO1 + ARO2 + OLE1 + OLE2 + TERP = AAR1 + AAR2 + AAR3 + AAR4 + AAR5 + AAR6 = GEN1 + GEN2 + GEN3 + GEN4 + GEN5 + GEN6 = C2BASE + GENX ! ! ! Following is used as name for unreactive species, ground and aloft. .COE INERT A#INERT R2#INERT R3#INERT R2#HCOOH R3#HCOOH R2#CCO-O R3#CCO-O ! ! Specifications for NOx: ! TOT.NOX is total NO + NO2 + HONO present initially or emitted. ! Default total is 0. ! ! R1#NO gives NO/NOx ratio for emitted or ! initially present NO, similarly for R1#NO2, etc. Default is ! 80% NO, 20% NO2, no HONO in emitted or initially present NOx. ! ! INI.NOX is fraction of total NOx input which is present initially. ! Default is all present initially. 1-INI.NOX is fraction which ! is emitted. ! .EMI = NO + NO2 + HONO ! .GROUP NOX = NO + NO2 + HONO ! .COE TOT.NOX 0.0 ! R1#NO 0.8 R1#NO2 0.2 R1#HONO 0.0 ! INI.NOX 1.0 ! ! Following are all the organics (base and test) which can ! be emitted. ! .EMI = CO + SO2 + HCHO + CCHO + RCHO + ACET + MEK + MEOH + COOH = ROOH + GLY + MGLY + BACL + PHEN + CRES + NPHE + BALD = METHACRO + MVK + ISO-PROD + PROD2 + RNO3 + DCB1 + DCB2 + DCB3 = ETHENE + ISOPRENE + ALK1 + ALK2 + ALK3 + ALK4 + ALK5 = ARO1 + ARO2 + OLE1 + OLE2 + TERP = AAR1 + AAR2 + AAR3 + AAR4 + AAR5 + AAR6 = GEN1 + GEN2 + GEN3 + GEN4 + GEN5 + GEN6 = C2BASE + GENX ! ! ! Base case organics are in group HC. Initial and/or emitted amounts ! of each given by HC * R2#specie. ! ! INI.HC is fraction of HC initially present. Default is all initially ! present and none emitted. ! .GROUP HC = CO + SO2 + HCHO + CCHO + RCHO + ACET + MEK + MEOH + COOH = ROOH + GLY + MGLY + BACL + PHEN + CRES + NPHE + BALD = METHACRO + MVK + ISO-PROD + PROD2 + RNO3 + DCB1 + DCB2 + DCB3 = ETHENE + ISOPRENE + ALK1 + ALK2 + ALK3 + ALK4 + ALK5 = ARO1 + ARO2 + OLE1 + OLE2 + TERP = C2BASE + GENX ! .COE TOT.HC 0.0 INI.HC 1.0 ! ! Test organics are in group THC. Initial and/or emitted amounts ! of each given by THC * R3#specie. ! ! INI.HC is fraction of HC initially present. Default is all initially ! present and none emitted. ! .GROUP THC = CO + SO2 + HCHO + CCHO + RCHO + ACET + MEK + MEOH + COOH = ROOH + GLY + MGLY + BACL + PHEN + CRES + NPHE + BALD = METHACRO + MVK + ISO-PROD + PROD2 + RNO3 + DCB1 + DCB2 + DCB3 = ETHENE + ISOPRENE + ALK1 + ALK2 + ALK3 + ALK4 + ALK5 = ARO1 + ARO2 + OLE1 + OLE2 + TERP = AAR1 + AAR2 + AAR3 + AAR4 + AAR5 + AAR6 = GEN1 + GEN2 + GEN3 + GEN4 + GEN5 + GEN6 ! .COE TOT.THC 1.0 INI.THC 1.0 ! ! Files included for chemical mechanism. ! .UNITS=PPM @SAPRC99F.RXN @WALLS.RXN ! ! Used for processing EKMA biogenic inputs ! .COE ISOP 0.0 E#ISOP 0.0 APIN 0.0 E#APIN 0.0 UNKN 0.0 E#UNKN 0.0 .INS INIT "C ISOPRENE" = "C ISOPRENE" + 'ISOP' "C TERP" = "C TERP" + 'UNKN' + 'APIN' .INS DIFF 'E#ISOPRE' = 'E#ISOP' 'E#TERP' = 'E#APIN' + 'E#UNKN' ! ! Added for computing integrated OH and O3. ! Correct for dilution due to changes in inverion height. ! .UNITS=OK .ACT INTOH INTO3 .RXN IOH) CONST 1.0 ;HO. = HO. + INTOH IO3) CONST 1.0 ;O3 = O3 + INTO3 .INS DIFF 'A#INTO3' = "C INTO3" 'A#INTOH' = "C INTOH" . ! ! The following is for reactivity calculations. ! @ALKARO1.RXN @ALKARO2.RXN @ALKARO3.RXN @ALKARO4.RXN @ALKARO5.RXN @ALKARO6.RXN @LMPGEN1.RXN @LMPGEN2.RXN @LMPGEN3.RXN @LMPGEN4.RXN @LMPGEN5.RXN @LMPGEN6.RXN ! .UNITS=PPM .RXN ! Reactions of CH3-CH3 c2OH) 1.37e-12 0.990 2.00 ;C2BASE + HO. = RO2-R. + CCHO ! @LMPGENX.RXN ! .END