!#start YYYYJJJ 010000 !#end YYYYJJJ 000000 !#layer 1 / ! This Species Definition File is for Use with the COMBINE tool built for ! post-processing CMAQ output. It is compatible with CMAQv5.2. ! Date: May 12 2017 ! Output variables that begin with 'PM' represent those in which a size cut was ! applied based on modeled aerosol mode parameters. For example, PM25_NA is all ! sodium that falls below 2.5 um diameter. These 'PM' variables are used for ! comparisons at IMPROVE and CSN sites. ! Output variables that begin with 'PMAMS' represent the mass that would have ! been detected by an Aerosol Mass Spectrometer. ! Output variables beginning with 'A' (aside from AIR_DENS) represent a ! combination of aerosol species in which no size cut was applied. For example, ! ASO4IJ is the sum of i-mode and j-mode sulfate. These 'A' variables are used ! for comparisons at CASTNet sites. ! Output variables beginning with 'PMC' refer to the coarse fraction of total PM, ! computed by summing all modes and subtracting the PM2.5 fraction. These 'PMC' ! variables are used for comparisons at SEARCH sites. ! This Species Definition File is just for use with the uncoupled, offline CMAQ, ! model. If you are processing WRF-CMAQ results, a different Species Definition ! file is required. / File [1]: CMAQ conc/aconc file / File [2]: METCRO3D file / File [3]: PMDIAG/APMDIAG file / File [4]: METCRO2D file / /new species ,units ,expression !-------------------------------------------! !------------- Meteorology -----------------! !-------------------------------------------! AIR_DENS ,kg m-3 ,DENS[2] RH ,% ,100.00*RH[3] SFC_TMP ,C ,(TEMP2[4]-273.15) PBLH ,m ,PBL[4] SOL_RAD ,W m-2 ,RGRND[4] precip ,cm ,RC[4]>=0 ? RN[4]+RC[4] : RN[4] WSPD10 ,m s-1 ,WSPD10[4] WDIR10 ,deg ,WDIR10[4] !-------------------------------------------! !--------------- Gases ---------------------! !-------------------------------------------! ALD2 ,ppbV ,1000.0*ALD2[1] BENZENE ,ppbV ,1000.0*BENZENE[1] CO ,ppbV ,1000.0*CO[1] ETH ,ppbV ,1000.0*ETH[1] ETHA ,ppbV ,1000.0*ETHA[1] FORM ,ppbV ,1000.0*FORM[1] H2O2 ,ppbV ,1000.0*H2O2[1] HNO3 ,ppbV ,1000.0*HNO3[1] HNO3_UGM3 ,ug m-3 ,1000.0*(HNO3[1]*2.1756*DENS[2]) HONO ,ppbV ,1000.0*HONO[1] HOX ,ppbV ,1000.0*(OH[1]+HO2[1]) OH ,ppbV ,1000.0*(OH[1]) ISOP ,ppbV ,1000.0*ISOP[1] N2O5 ,ppbV ,1000.0*N2O5[1] NH3 ,ppbV ,1000.0*NH3[1] NH3_UGM3 ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2]) NHX ,ug m-3 ,1000.0*(NH3[1]*0.5880*DENS[2])+ANH4I[1]+ANH4J[1]+ANH4K[1] NO ,ppbV ,1000.0*NO[1] NO2 ,ppbV ,1000.0*NO2[1] NOX ,ppbV ,1000.0*(NO[1] + NO2[1]) ANO3_PPB ,ppbV ,(ANO3I[1]+ANO3J[1]+ANO3K[1])/(DENS[2]*(62.0/28.97)) NTR ,ppbV ,1000.0*(NTR1[1]+NTR2[1]+INTR[1]) PANS ,ppbV ,1000.0*(PAN[1]+PANX[1]+OPAN[1]) NOY ,ppbV ,1000.0* (NO[1]+NO2[1]+NO3[1]+2*N2O5[1]+HONO[1]+HNO3[1]+PNA[1] \ +CRON[1]+CLNO2[1]+CLNO3[1]) \ +PANS[0]+NTR[0]+ANO3_PPB[0] O3 ,ppbV ,1000.0*O3[1] SO2 ,ppbV ,1000.0*SO2[1] SO2_UGM3 ,ug m-3 ,1000.0*(SO2[1]*2.2118*DENS[2]) TERP ,ppbV ,1000.0*TERP[1] TOL ,ppbV ,1000.0*TOL[1] XYL ,ppbV ,1000.0*XYLMN[1] !Additional Toxic gases !ACROLEIN ,ug m-3 ,1000.0*(ACROLEIN[1]*1.9365*DENS[2]) !ACRO_PRIMARY ,ug m-3 ,1000.0*(ACRO_PRIMARY*1.9365*DENS[2]) !ALD2_PRIMARY ,ug m-3 ,1000.0*(ALD2_PRIMARY[1]*1.5188*DENS[2]) !FORM_PRIMARY ,ug m-3 ,1000.0*(FORM_PRIMARY[1]*1.0356*DENS[2]) !BUTADIENE13 ,ug m-3 ,1000.0*(BUTADIENE13[1]*1.8674*DENS[2]) !HCL ,ppbV ,1000.0*HCL[1] !TOLUENE ,ppbV ,1000.0*TOLU[1] !Mercuric gas species !HG_0 ,ng/m3 ,1000.0*(HG[1]*8.3330*DENS[2]*1000.0) !HG_II ,ng/m3 ,1000.0*(HGIIGAS[1]*8.3330*DENS[2]*1000.0) !! Unused Gases. Presented Here for illustration. Users can uncomment !! them if they choose. !ALDX ,ppbV ,1000.0*ALDX[1] !IOLE ,ppbV ,1000.0*IOLE[1] !OLE ,ppbV ,1000.0*OLE[1] !PAR ,ppbV ,1000.0*PAR[1] !PAN ,ppbV ,1000.0*PAN[1] !SULF ,ppbV ,1000.0*SULF[1] ! emitted VOCs !VOC ,ppbC ,1000.0* (PAR[1] +2.0*ETHA[1] +3.0*PRPA[1] +MEOH[1]\ ! +2.0*ETH[1] +2.0*ETOH[1] +2.0*OLE[1] +3.0*ACET[1] \ ! +7.0*TOL[1] +8.0*XYLMN[1] +6.0*BENZENE[1] \ ! +FORM[1] +3.0*GLY[1] +4.0*KET[1] +2.0*ETHY[1] \ ! +2.0*ALD2[1] + 4.0*IOLE[1] + 2.0*ALDX[1] \ ! +5.0*ISOP[1] + 10.0*TERP[1]+ 10.0*NAPH[1]) !-------------------------------------------! !--------------- Particles -----------------! !-------------------------------------------! !! Crustal Elements AFEJ ,ug m-3 ,AFEJ[1] AALJ ,ug m-3 ,AALJ[1] ASIJ ,ug m-3 ,ASIJ[1] ATIJ ,ug m-3 ,ATIJ[1] ACAJ ,ug m-3 ,ACAJ[1] AMGJ ,ug m-3 ,AMGJ[1] AKJ ,ug m-3 ,AKJ[1] AMNJ ,ug m-3 ,AMNJ[1] ASOILJ ,ug m-3 ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1] !! Non-Crustal Inorganic Particle Species AHPLUSIJ ,ug m-3 ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0 ANAK ,ug m-3 ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1] AMGK ,ug m-3 ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1] AKK ,ug m-3 ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1] ACAK ,ug m-3 ,0.0320*ASEACAT[1]+0.0838*ASOIL[1]+0.0562*ACORS[1] ACLIJ ,ug m-3 ,ACLI[1]+ACLJ[1] AECIJ ,ug m-3 ,AECI[1]+AECJ[1] ANAIJ ,ug m-3 ,ANAJ[1]+ANAI[1] ANO3IJ ,ug m-3 ,ANO3I[1]+ANO3J[1] ANO3K ,ug m-3 ,ANO3K[1] TNO3 ,ug m-3 ,2175.6*(HNO3[1]*DENS[2])+ANO3I[1]+ANO3J[1]+ANO3K[1] ANH4IJ ,ug m-3 ,ANH4I[1]+ANH4J[1] ANH4K ,ug m-3 ,ANH4K[1] ASO4IJ ,ug m-3 ,ASO4I[1]+ASO4J[1] ASO4K ,ug m-3 ,ASO4K[1] !! Organic Particle Species APOCI ,ugC m-3 ,ALVPO1I[1]/1.39 + ASVPO1I[1]/1.32 + ASVPO2I[1]/1.26 \ +APOCI[1] APOCJ ,ugC m-3 ,ALVPO1J[1]/1.39 + ASVPO1J[1]/1.32 + ASVPO2J[1]/1.26 \ + ASVPO3J[1]/1.21 + AIVPO1J[1]/1.17 + APOCJ[1] APOCIJ ,ugC m-3 ,APOCI[0] + APOCJ[0] APOMI ,ug m-3 ,ALVPO1I[1] + ASVPO1I[1] + ASVPO2I[1] + APOCI[1] \ +APNCOMI[1] APOMJ ,ug m-3 ,ALVPO1J[1] + ASVPO1J[1] + ASVPO2J[1] + APOCJ[1] \ + APNCOMJ[1] \ + ASVPO3J[1] + AIVPO1J[1] APOMIJ ,ug m-3 ,APOMI[0] + APOMJ[0] ASOCI ,ugC m-3 ,ALVOO1I[1]/2.27 + ALVOO2I[1]/2.06\ + ASVOO1I[1]/1.88 + ASVOO2I[1]/1.73 ASOCJ ,ugC m-3 ,AXYL1J[1]/2.42 + AXYL2J[1]/1.93 + AXYL3J[1]/2.30\ + ATOL1J[1]/2.26 + ATOL2J[1]/1.82 + ATOL3J[1]/2.70\ + ABNZ1J[1]/2.68 + ABNZ2J[1]/2.23 + ABNZ3J[1]/3.00\ + AISO1J[1]/2.20 + AISO2J[1]/2.23 + AISO3J[1]/2.80\ + ATRP1J[1]/1.84 + ATRP2J[1]/1.83 + AGLYJ[1]/2.13 \ + ASQTJ[1]/1.52 + AALK1J[1]/1.56 + AALK2J[1]/1.42\ + AORGCJ[1]/2.00 + AOLGBJ[1]/2.10 + AOLGAJ[1]/2.50\ + APAH1J[1]/1.63 + APAH2J[1]/1.49 + APAH3J[1]/1.77\ + ALVOO1J[1]/2.27 + ALVOO2J[1]/2.06 + ASVOO1J[1]/1.88\ + ASVOO2J[1]/1.73 + ASVOO3J[1]/1.60 + APCSOJ[1] /2.00 ASOCIJ ,ugC m-3 ,ASOCI[0] + ASOCJ[0] ASOMI ,ug m-3 ,ALVOO1I[1] + ALVOO2I[1] + ASVOO1I[1] + ASVOO2I[1] ASOMJ ,ug m-3 ,AXYL1J[1] + AXYL2J[1] + AXYL3J[1] + ATOL1J[1] \ + ATOL2J[1] + ATOL3J[1] + ABNZ1J[1] + ABNZ2J[1] \ + ABNZ3J[1] + AISO1J[1] + AISO2J[1] + AISO3J[1] \ + ATRP1J[1] + ATRP2J[1] + AGLYJ[1] + ASQTJ[1] \ + AALK1J[1] + AALK2J[1] + APAH1J[1] + APAH2J[1] \ + APAH3J[1] + AORGCJ[1] + AOLGBJ[1] + AOLGAJ[1] \ + ALVOO1J[1] + ALVOO2J[1] + ASVOO1J[1] + ASVOO2J[1]\ + ASVOO3J[1] + APCSOJ[1] ASOMIJ ,ug m-3 ,ASOMI[0] + ASOMJ[0] AOCI ,ugC m-3 ,APOCI[0] + ASOCI[0] AOCJ ,ugC m-3 ,APOCJ[0] + ASOCJ[0] AOCIJ ,ugC m-3 ,APOCIJ[0] + ASOCIJ[0] AOMI ,ug m-3 ,APOMI[0] + ASOMI[0] AOMJ ,ug m-3 ,APOMJ[0] + ASOMJ[0] AOMIJ ,ug m-3 ,APOMIJ[0] + ASOMIJ[0] !!! Anthropogenic-VOC Derived Organic Aerosol AORGAJ ,ug m-3 ,AXYL1J[1]+AXYL2J[1]+AXYL3J[1]+ATOL1J[1]+ATOL2J[1]+ATOL3J[1] \ + ABNZ1J[1]+ABNZ2J[1]+ABNZ3J[1]+AALK1J[1]+AALK2J[1]+AOLGAJ[1] \ + APAH1J[1]+APAH2J[1]+APAH3J[1] !!! Biogenic-VOC Derived Organic Aerosol AORGBJ ,ug m-3 ,AISO1J[1]+AISO2J[1]+AISO3J[1]+ATRP1J[1]+ATRP2J[1]+AGLYJ[1]+ASQTJ[1]+AOLGBJ[1] !!! Cloud-Processed SOA AORGCJ ,ug m-3 ,AORGCJ[1] !!! OM/OC ratios AOMOCRAT_TOT ,none ,AOMIJ[0]/AOCIJ[0] !! Total PM Aggregates ATOTI ,ug m-3 ,ASO4I[1]+ANO3I[1]+ANH4I[1]+ANAI[1]+ACLI[1] \ + AECI[1]+AOMI[0]+AOTHRI[1] ATOTJ ,ug m-3 ,ASO4J[1]+ANO3J[1]+ANH4J[1]+ANAJ[1]+ACLJ[1] \ + AECJ[1]+AOMJ[0]+AOTHRJ[1]+AFEJ[1]+ASIJ[1] \ + ATIJ[1]+ACAJ[1]+AMGJ[1]+AMNJ[1]+AALJ[1]+AKJ[1] ATOTK ,ug m-3 ,ASOIL[1]+ACORS[1]+ASEACAT[1]+ACLK[1]+ASO4K[1] \ + ANO3K[1]+ANH4K[1] ATOTIJ ,ug m-3 ,ATOTI[0]+ATOTJ[0] ATOTIJK ,ug m-3 ,ATOTIJ[0]+ATOTK[0] !! Unspeciated PM including non-carbon organic mass AUNSPEC1IJ ,ug m-3 ,ATOTIJ[0] - (ASOILJ[0] + ANO3IJ[0] + ASO4IJ[0] + ANH4IJ[0] \ +AOCIJ[0] + AECIJ[0] + ANAIJ[0] + ACLIJ[0]) !! Non-Carbon Organic Mass ANCOMIJ ,ug m-3 ,AOMIJ[0]-AOCIJ[0] !! Unspeciated PM excluding non-carbon organic mass AUNSPEC2IJ ,ug m-3 ,AUNSPEC1IJ[0] - ANCOMIJ[0] !! AMS Projection of Output Concentrations PMAMS_CL ,ug m-3 ,ACLI[1]*AMSAT[3]+ACLJ[1]*AMSAC[3]+ACLK[1]*AMSCO[3] PMAMS_NH4 ,ug m-3 ,ANH4I[1]*AMSAT[3]+ANH4J[1]*AMSAC[3]+ANH4K[1]*AMSCO[3] PMAMS_NO3 ,ug m-3 ,ANO3I[1]*AMSAT[3]+ANO3J[1]*AMSAC[3]+ANO3K[1]*AMSCO[3] PMAMS_OM ,ugC m-3 ,AOMI[0]*AMSAT[3]+AOMJ[0]*AMSAC[3] PMAMS_SO4 ,ug m-3 ,ASO4I[1]*AMSAT[3]+ASO4J[1]*AMSAC[3]+ASO4K[1]*AMSCO[3] !! PM1 Cutoff Output PM1_TOT ,ug m-3 ,ATOTI[0]*PM1AT[3]+ATOTJ[0]*PM1AC[3]+ATOTK[0]*PM1CO[3] !! Unused PM1 Species. Included Here for demonstration !PM1_EC ,ug m-3 ,AECI[1]*PM1AT[3]+AECJ[1]*PM1AC[3] !PM1_OC ,ugC m-3 ,AOCI[0]*PM1AT[3]+AOCJ[0]*PM1AC[3] !PM1_OM ,ug m-3 ,AOMI[0]*PM1AT[3]+AOMJ[0]*PM1AC[3] !PM1_SO4 ,ug m-3 ,ASO4I[1]*PM1AT[3]+ASO4J[1]*PM1AC[3]+ASO4K[1]*PM1CO[3] !PM1_CL ,ug m-3 ,ACLI[1]*PM1AT[3]+ACLJ[1]*PM1AC[3]+ACLK[1]*PM1CO[3] !PM1_NA ,ug m-3 ,ANAI[1]*PM1AT[3]+ANAJ[1]*PM1AC[3]+ANAK[0]*PM1CO[3] !PM1_MG ,ug m-3 , AMGJ[1]*PM1AC[3]+AMGK[0]*PM1CO[3] !PM1_K ,ug m-3 , AKJ[1] *PM1AC[3]+AKK[0] *PM1CO[3] !PM1_CA ,ug m-3 , ACAJ[1]*PM1AC[3]+ACAK[0]*PM1CO[3] !PM1_NH4 ,ug m-3 ,ANH4I[1]*PM1AT[3]+ANH4J[1]*PM1AC[3]+ANH4K[1]*PM1CO[3] !PM1_NO3 ,ug m-3 ,ANO3I[1]*PM1AT[3]+ANO3J[1]*PM1AC[3]+ANO3K[1]*PM1CO[3] !PM1_SOIL ,ug m-3 ,ASOILJ[0]*PM1AC[3]+(ASOIL[1]+ACORS[1])*PM1CO[3] !PM1_UNSPEC1 ,ug m-3 ,PM1_TOT[0]-(PM1_CL[0]+PM1_EC[0]+PM1_NA[0]+PM1_NH4[0]+PM1_NO3[0]+PM1_OC[0]+PM1_SOIL[0]+PM1_SO4[0]) !! PM2.5 species computed using modeled size distribution PM25_HP ,ug m-3 ,(AH3OPI[1]*PM25AT[3]+AH3OPJ[1]*PM25AC[3]+AH3OPK[1]*PM25CO[3])*1.0/19.0 PM25_CL ,ug m-3 ,ACLI[1]*PM25AT[3]+ACLJ[1]*PM25AC[3]+ACLK[1]*PM25CO[3] PM25_EC ,ug m-3 ,AECI[1]*PM25AT[3]+AECJ[1]*PM25AC[3] PM25_NA ,ug m-3 ,ANAI[1]*PM25AT[3]+ANAJ[1]*PM25AC[3]+ANAK[0]*PM25CO[3] PM25_MG ,ug m-3 , AMGJ[1]*PM25AC[3]+AMGK[0]*PM25CO[3] PM25_K ,ug m-3 , AKJ[1] *PM25AC[3]+AKK[0] *PM25CO[3] PM25_CA ,ug m-3 , ACAJ[1]*PM25AC[3]+ACAK[0]*PM25CO[3] PM25_NH4 ,ug m-3 ,ANH4I[1]*PM25AT[3]+ANH4J[1]*PM25AC[3]+ANH4K[1]*PM25CO[3] PM25_NO3 ,ug m-3 ,ANO3I[1]*PM25AT[3]+ANO3J[1]*PM25AC[3]+ANO3K[1]*PM25CO[3] PM25_OC ,ugC m-3 ,AOCI[0]*PM25AT[3]+AOCJ[0]*PM25AC[3] PM25_OM ,ug m-3 ,AOMI[0]*PM25AT[3]+AOMJ[0]*PM25AC[3] PM25_SOIL ,ug m-3 ,ASOILJ[0]*PM25AC[3]+ASOIL[1]*PM25CO[3] PM25_SO4 ,ug m-3 ,ASO4I[1]*PM25AT[3]+ASO4J[1]*PM25AC[3]+ASO4K[1]*PM25CO[3] PM25_TOT ,ug m-3 ,ATOTI[0]*PM25AT[3]+ATOTJ[0]*PM25AC[3]+ATOTK[0]*PM25CO[3] PM25_UNSPEC1 ,ug m-3 ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \ +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0]) !! PM10.0 and Coarse-Sized Species PM10 ,ug m-3 ,ATOTI[0]*PM10AT[3]+ATOTJ[0]*PM10AC[3]+ATOTK[0]*PM10CO[3] PMC_CL ,ug m-3 ,ACLI[1]+ACLJ[1]+ACLK[1]-PM25_CL[0] PMC_NA ,ug m-3 ,ANAIJ[0]+ANAK[0]-PM25_NA[0] PMC_NH4 ,ug m-3 ,ANH4I[1]+ANH4J[1]+ANH4K[1]-PM25_NH4[0] PMC_NO3 ,ug m-3 ,ANO3I[1]+ANO3J[1]+ANO3K[1]-PM25_NO3[0] PMC_SO4 ,ug m-3 ,ASO4I[1]+ASO4J[1]+ASO4K[1]-PM25_SO4[0] PMC_TOT ,ug m-3 ,ATOTIJK[0]-PM25_TOT[0] !! FRM PM Equivalent Calculation !! This section calculates the FRM applicable PM species, PMIJ_FRM and !! PM25_FRM. The intermediate variablse K...ANH4IJ_loss are needed to !! calculate the final quantities. K ,ppb2 ,exp(118.87-24084/TEMP2[4]-6.025*log(TEMP2[4])) P1 , ,exp(8763/TEMP2[4]+19.12*log(TEMP2[4])-135.94) P2 , ,exp(9969/TEMP2[4]+16.22*log(TEMP2[4])-122.65) P3 , ,exp(13875/TEMP2[4]+24.46*log(TEMP2[4])-182.61) a , ,1-RH[0]/100 K_prime ,ppb2 ,(P1[0]-P2[0]*a[0]+(P3[0]*a[0]*a[0]))*(a[0]^1.75)*K[0] sqrt_Ki ,ppb ,sqrt(RH[0]<=61 ? K[0] : K_prime[0]) max_NO3_loss ,ug m-3 ,745.7/TEMP2[4]*sqrt_Ki[0] PM25_NO3_loss ,ug m-3 ,max_NO3_loss[0]<=PM25_NO3[0] ? max_NO3_loss[0] : PM25_NO3[0] ANO3IJ_loss ,ug m-3 ,max_NO3_loss[0]<=ANO3IJ[0] ? max_NO3_loss[0] : ANO3IJ[0] PM25_NH4_loss ,ug m-3 ,PM25_NO3_loss[0]*(18/62) ANH4IJ_loss ,ug m-3 ,ANO3IJ_loss[0]*(18/62) PMIJ_FRM ,ug m-3 ,ATOTIJ[0]-(ANO3IJ_loss[0]+ANH4IJ_loss[0]) \ +0.24*(ASO4IJ[0]+ANH4IJ[0]-ANH4IJ_loss[0])+0.5 PM25_FRM ,ug m-3 ,PM25_TOT[0]-(PM25_NO3_loss[0]+PM25_NH4_loss[0]) \ +0.24*(PM25_SO4[0]+PM25_NH4[0]-PM25_NH4_loss[0])+0.5