!#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 CMAQv6.0.

! 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. 

! 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]: ELMO file
/
/new species    ,units     ,expression
                                         
!-------------------------------------------!
!------------- Meteorology -----------------!
!-------------------------------------------!
AIR_DENS        ,kg m-3    ,DENS[1]
RH              ,%         ,100.00*RH[1]
SFC_TMP         ,C         ,(SFC_TMP[1]-273.15)
PBLH            ,m         ,PBL[1]
SOL_RAD         ,W m-2     ,RGRND[1]
precip          ,cm        ,PRECIP[1]
WSPD10          ,m s-1     ,WSPD10[1]
WDIR10          ,deg       ,WDIR10[1]

!-------------------------------------------!
!--------------- Gases ---------------------!
!-------------------------------------------!
ALD2            ,ppbV      ,1000.0*ACETALD[1]
BENZENE         ,ppbV      ,1000.0*BENZENE[1]
CO              ,ppbV      ,1000.0*CO[1]
ETH             ,ppbV      ,1000.0*ETHENE[1]
ETHA            ,ppbV      ,1000.0*ETHANE[1]
FORM            ,ppbV      ,1000.0*FORMALD[1]
H2O2            ,ppbV      ,1000.0*H2O2[1]
HNO3            ,ppbV      ,1000.0*HNO3[1]
HNO3_UGM3       ,ug m-3    ,HNO3_UGM3[1]
HONO            ,ppbV      ,1000.0*HONO[1]
HOX             ,ppbV      ,1000.0*HOX[1]
OH              ,ppbV      ,1000.0*OH[1]
ISOP            ,ppbV      ,1000.0*ISOPRENE[1]
N2O5            ,ppbV      ,1000.0*N2O5[1]
NH3             ,ppbV      ,1000.0*NH3[1]
NH3_UGM3        ,ug m-3    ,NH3_UGM3[1]
NHX             ,ug m-3    ,NHX[1]
NO              ,ppbV      ,1000.0*NO[1]
NO2             ,ppbV      ,1000.0*NO2[1]
NOX             ,ppbV      ,1000.0*NOX[1]
ANO3_PPB        ,ppbV      ,1000.0*TSP_NO3_PPM[1]
NTR             ,ppbV      ,1000.0*NTR[1]
PANS            ,ppbV      ,1000.0*PANS[1]
NOY             ,ppbV      ,1000.0*NOY[1]
O3              ,ppbV      ,1000.0*O3[1]
SO2             ,ppbV      ,1000.0*SO2[1]
SO2_UGM3        ,ug m-3    ,SO2_UGM3[1]
TERP            ,ppbV      ,1000.0*TERPENES[1]
TOL             ,ppbV      ,1000.0*TOLUENE[1]
XYL             ,ppbV      ,1000.0*XYLENES[1]

! emitted VOCs
VOC             ,ppbC      ,1000.0*VOC[1]

!! DMS and MSA. Users can uncomment them if they choose.
DMS            ,ppbV      ,1000.0*DMS[1]
MSA            ,ppbV      ,1000.0*MSA[1]

!-------------------------------------------!
!--------------- Particles -----------------!
!-------------------------------------------!
!! Crustal Elements
AFEJ            ,ug m-3    ,PMF_FE[1]
AALJ            ,ug m-3    ,PMF_AL[1]
ASIJ            ,ug m-3    ,PMF_SI[1]
ATIJ            ,ug m-3    ,PMF_TI[1]
ACAJ            ,ug m-3    ,PMF_CA[1]
AMGJ            ,ug m-3    ,PMF_MG[1]
AKJ             ,ug m-3    ,PMF_K[1]
AMNJ            ,ug m-3    ,PMF_MN[1]
ASOILJ          ,ug m-3    ,PMF_RCSOIL[1]

!! Non-Crustal Inorganic Particle Species
AHPLUSIJ        ,umol m-3  ,PMF_HP[1]
ANAK            ,ug m-3    ,PMC_NA[1]
AMGK            ,ug m-3    ,PMC_MG[1]
AKK             ,ug m-3    ,PMC_K[1]
ACAK            ,ug m-3    ,PMC_CA[1]
ACLIJ           ,ug m-3    ,PMF_CL[1]
AECIJ           ,ug m-3    ,PMF_EC[1]
ANAIJ           ,ug m-3    ,PMF_NA[1]
ANO3IJ          ,ug m-3    ,PMF_NO3[1]
ANO3K           ,ug m-3    ,PMC_NO3[1]
TNO3            ,ug m-3    ,TNO3[1]
ANH4IJ          ,ug m-3    ,PMF_NH4[1]
ANH4K           ,ug m-3    ,PMC_NH4[1]
ASO4IJ          ,ug m-3    ,PMF_SO4[1]
ASO4K           ,ug m-3    ,PMC_SO4[1]

!! Organic Particle Species
APOCIJ          ,ugC m-3   ,PMF_POC[1]
APOMIJ          ,ug m-3    ,PMF_POA[1]
ASOCIJ          ,ugC m-3   ,PMF_SOC[1]
ASOMIJ          ,ug m-3    ,PMF_SOA[1]
AOCIJ           ,ugC m-3   ,PMF_OC[1]
AOMIJ           ,ug m-3    ,PMF_OA[1]

!!! Anthropogenic-VOC Derived Organic Aerosol
AORGAIJ         ,ug m-3    ,PMF_ASOA[1]

!!! Biogenic-VOC Derived Organic Aerosol
AORGBIJ         ,ug m-3    ,PMF_BSOA[1]

!!! Cloud-Processed  SOA
AORGCJ          ,ug m-3    ,AORGCJ[1]

!!! OM/OC ratios
AOMOCRAT_TOT    ,          ,PMF_OMOC[1]

!! Total PM Aggregates
ATOTI           ,ug m-3    ,PMAIT[1]
ATOTJ           ,ug m-3    ,PMACC[1]
ATOTK           ,ug m-3    ,PMC[1]
ATOTIJ          ,ug m-3    ,PMF[1]
ATOTIJK         ,ug m-3    ,TSP[1]

!! Unspeciated PM including non-carbon organic mass
AUNSPEC1IJ      ,ug m-3    ,PMF_OTHWNC[1]
!! Non-Carbon Organic Mass
ANCOMIJ         ,ug m-3    ,PMF_NC[1]

!! Unspeciated PM excluding non-carbon organic mass
AUNSPEC2IJ      ,ug m-3    ,PMF_OTH[1]

!! AMS Projection of Output Concentrations
PMAMS_CL        ,ug m-3    ,PMAMS_CL[1]
PMAMS_NH4       ,ug m-3    ,PMAMS_NH4[1]
PMAMS_NO3       ,ug m-3    ,PMAMS_NO3[1]
PMAMS_OA        ,ug m-3    ,PMAMS_OA[1]
PMAMS_SO4       ,ug m-3    ,PMAMS_SO4[1]

!! PM1 Cutoff Output
PM1_TOT         ,ug m-3    ,PM1[1]

!! Unused PM1 Species. Included Here for demonstration
!PM1_EC         ,ug m-3    ,PM1_EC[1]
!PM1_OC         ,ugC m-3   ,PM1_OC[1]
!PM1_OM         ,ug m-3    ,PM1_OA[1]
!PM1_SO4        ,ug m-3    ,PM1_SO4[1]
!PM1_CL         ,ug m-3    ,PM1_CL[1]
!PM1_NA         ,ug m-3    ,PM1_NA[1]
!PM1_MG         ,ug m-3    ,PM1_MG[1]
!PM1_K          ,ug m-3    ,PM1_K[1]
!PM1_CA         ,ug m-3    ,PM1_CA[1]
!PM1_NH4        ,ug m-3    ,PM1_NH4[1]
!PM1_NO3        ,ug m-3    ,PM1_NO3[1]
!PM1_SOIL       ,ug m-3    ,PM1_RCSOIL[1]
!PM1_UNSPEC1    ,ug m-3    ,PM1_OTHWNC[1]
!PM1_UNSPCRS    ,ug m-3    ,PM1_UNSPCRS[1]

!! PM2.5 species computed using modeled size distribution
PM25_HP         ,ug m-3    ,PM25_HP[1]
PM25_CL         ,ug m-3    ,PM25_CL[1] 
PM25_EC         ,ug m-3    ,PM25_EC[1] 
PM25_NA         ,ug m-3    ,PM25_NA[1] 
PM25_MG         ,ug m-3    ,PM25_MG[1] 
PM25_K          ,ug m-3    ,PM25_K[1] 
PM25_CA         ,ug m-3    ,PM25_CA[1] 
PM25_NH4        ,ug m-3    ,PM25_NH4[1] 
PM25_NO3        ,ug m-3    ,PM25_NO3[1] 
PM25_OC         ,ugC m-3   ,PM25_OC[1] 
PM25_OM         ,ug m-3    ,PM25_OA[1] 
PM25_SOIL       ,ug m-3    ,PM25_RCSOIL[1]  
PM25_SO4        ,ug m-3    ,PM25_SO4[1] 
PM25_TOT        ,ug m-3    ,PM25[1] 
!PM25_UNSPEC1    ,ug m-3    ,PM25_OTHWNC[1] 
PM25_UNSPEC1    ,ug m-3    ,PM25[1]-(PM25_CL[1]+PM25_EC[1]+PM25_NA[1]+PM25_NH4[1] \
                           +PM25_NO3[1]+PM25_OC[1]+PM25_RCSOIL[1]+PM25_SO4[1])
PM25_UNSPCRS    ,ug m-3    ,PM25_UNSPCRS[1]

!The following definition of PM25_UNSPCRS is for testing purposes only because it
!will more closely match combine output when using the 'non-ELMO' SpecDef file
!(SpecDef_Conc_cb6r5_ae7_aq.txt). The definition of the ELMO aggregate PM25_UNSPCRS 
!on the line above is identical to the following formula based on individual species, 
!however the aggregation is calculated at every time step, rather than on an hourly 
!basis. This difference was found to lead to >1 ug m-3 differences in PM25_UNSPCRS. 
!PM25_UNSPCRS    ,ug m-3    ,PMC[1]*FPM25_COR[1] - (PMC_SO4[1]*FPM25_COR[1] \
!                                                  +PMC_CL[1]*FPM25_COR[1]  \
!                                                  +PMC_NA[1]*FPM25_COR[1]  \
!                                                  +PMC_MG[1]*FPM25_COR[1]  \
!                                                  +PMC_K[1]*FPM25_COR[1]   \
!                                                  +PMC_CA[1]*FPM25_COR[1]  \
!                                                  +PMC_NH4[1]*FPM25_COR[1] \
!                                                  +PMC_NO3[1]*FPM25_COR[1])

                           

!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. 
!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will 
!have large negative value (-9.999E36) when pH is not to be trusted.
!AH2OIJ         ,ug m-3     ,PMF_H2O[1]
!HPMOLAL        ,mol kg-1   ,PMF_HPMOLAL[1]
!ACIDITYTEMP    ,           ,-1*LOG10(PMF_HPMOLAL[1])
!FINEPHF        ,           ,PMF_PH[1]

!! PM10.0 and Coarse-Sized Species
PM10            ,ug m-3    ,PM10[3]
 
PMC_CL          ,ug m-3    ,PM25TO10_CL[3]
PMC_NA          ,ug m-3    ,PM25TO10_NA[3]
PMC_NH4         ,ug m-3    ,PM25TO10_NH4[3] 
PMC_NO3         ,ug m-3    ,PM25TO10_NO3[3] 
PMC_SO4         ,ug m-3    ,PM25TO10_SO4[3] 
PMC_TOT         ,ug m-3    ,PM25TO10[3] 

!! Size Fractions
FPM01_AIT       ,          ,FPM01_AIT[1]    
FPM01_ACC       ,          ,FPM01_ACC[1]    
FPM01_COR       ,          ,FPM01_COR[1]    
FPM1_AIT        ,          ,FPM1_AIT[1]     
FPM1_ACC        ,          ,FPM1_ACC[1]     
FPM1_COR        ,          ,FPM1_COR[1]     
FPM25_AIT       ,          ,FPM25_AIT[1]    
FPM25_ACC       ,          ,FPM25_ACC[1]    
FPM25_COR       ,          ,FPM25_COR[1]    
FPM25TO10_AIT   ,          ,FPM25TO10_AIT[1]
FPM25TO10_ACC   ,          ,FPM25TO10_ACC[1]
FPM25TO10_COR   ,          ,FPM25TO10_COR[1]
FPM10_AIT       ,          ,FPM10_AIT[1]    
FPM10_ACC       ,          ,FPM10_ACC[1]    
FPM10_COR       ,          ,FPM10_COR[1]    

!! FRM PM Equivalent Calculation
PMIJ_FRM        ,ug m-3    ,PMF_FRM[3]
PM25_FRM        ,ug m-3    ,PM25_FRM[3]

!-------------------------------------------!
!---------------- PFAS ---------------------!
!-------------------------------------------!
HFPODA          ,ppbV      ,1000.0*HFPODA[1]
HFPODAF         ,ppbV      ,1000.0*HFPODAF[1]
TFE             ,ppbV      ,1000.0*TFE[1]
HFPO            ,ppbV      ,1000.0*HFPO[1]
HFP             ,ppbV      ,1000.0*HFP[1]
E2              ,ppbV      ,1000.0*E2[1]
PSEPVE          ,ppbV      ,1000.0*PSEPVE[1]
PAF             ,ppbV      ,1000.0*PAF[1]
CH3F            ,ppbV      ,1000.0*CH3F[1]
PPVE            ,ppbV      ,1000.0*PPVE[1]
PMVE            ,ppbV      ,1000.0*PMVE[1]
PEVE            ,ppbV      ,1000.0*PEVE[1]
PFB             ,ppbV      ,1000.0*PFB[1]
PMPF            ,ppbV      ,1000.0*PMPF[1]
TAF2            ,ppbV      ,1000.0*TAF2[1]
EVE             ,ppbV      ,1000.0*EVE[1]
COF2            ,ppbV      ,1000.0*COF2[1]
E1              ,ppbV      ,1000.0*E1[1]
PEPF            ,ppbV      ,1000.0*PEPF[1]
DA              ,ppbV      ,1000.0*DA[1]
HFPOTA          ,ppbV      ,1000.0*HFPOTA[1]
TAF             ,ppbV      ,1000.0*TAF[1]
MA              ,ppbV      ,1000.0*MA[1]
F113            ,ppbV      ,1000*F113[1]
TFF4            ,ppbV      ,1000*TFF4[1]
CF3H            ,ppbV      ,1000*CF3H[1]
PFASOTHER       ,ppbV      ,1000.0*PFASOTHER[1]
PFASGAS         ,ppbV      ,1000.0*PFASGAS[1]
PFASGP          ,ppbV      ,1000.0*PFASGP[1]
PFASGASOTHER    ,ppbV      ,1000.0*PFASGASOTHER[1]

AHFPODAJ        ,ug m-3    ,AHFPODAJ[1]
AHFPODAFJ       ,ug m-3    ,AHFPODAFJ[1]
ATFEJ           ,ug m-3    ,ATFEJ[1]
AHFPOJ          ,ug m-3    ,AHFPOJ[1]
AHFPJ           ,ug m-3    ,AHFPJ[1]
AE2J            ,ug m-3    ,AE2J[1]
APSEPVEJ        ,ug m-3    ,APSEPVEJ[1]
APAFJ           ,ug m-3    ,APAFJ[1]
ACH3FJ          ,ug m-3    ,ACH3FJ[1]
APPVEJ          ,ug m-3    ,APPVEJ[1]
APMVEJ          ,ug m-3    ,APMVEJ[1]
APEVEJ          ,ug m-3    ,APEVEJ[1]
APFBJ           ,ug m-3    ,APFBJ[1]
APMPFJ          ,ug m-3    ,APMPFJ[1]
ATAF2J          ,ug m-3    ,ATAF2J[1]
AEVEJ           ,ug m-3    ,AEVEJ[1]
ACOF2J          ,ug m-3    ,ACOF2J[1]
AE1J            ,ug m-3    ,AE1J[1]
APEPFJ          ,ug m-3    ,APEPFJ[1]
ADAJ            ,ug m-3    ,ADAJ[1]
AHFPOTAJ        ,ug m-3    ,AHFPOTAJ[1]
ATAFJ           ,ug m-3    ,ATAFJ[1]
AMAJ            ,ug m-3    ,AMAJ[1]
AHFJ            ,ug m-3    ,AHFJ[1]
AF113J          ,ug m-3    ,AF113J[1]
ATFF4J          ,ug m-3    ,ATFF4J[1]
ACF3HJ          ,ug m-3    ,ACF3HJ[1]
APFASOTHERJ     ,ug m-3    ,APFASOTHERJ[1]
APFASGPJ        ,ug m-3    ,APFASGPJ[1]
APFASAEROJ      ,ug m-3    ,APFASAEROJ[1]
APFAS_EXPTDAEROJ,ug m-3    ,APFAS_EXPTDAEROJ[1]

! all PFAS, ie sum of individual species > 100 lbs/2017 emissions, and lumped "other" group, excluding HF which isn't really a PFAS, separated by gas & particle phase
TOT_GASPFAS     ,ppbV     , (HFPODA[1]+ HFPODAF[1]+ TFE[1]+ HFPO[1]+ HFP[1]+ E2[1]+ PSEPVE[1]+ PAF[1]+ CH3F[1]+ PPVE[1]+ PMVE[1]+ PEVE[1]+ PFB[1]+ PMPF[1]+ TAF2[1]+ EVE[1]+ COF2[1]+ E1[1]+ PEPF[1]+ DA[1]+ HFPOTA[1]+ TAF[1]+ MA[1]+ F113[1]+ TFF4[1]+ CF3H[1]+ PFASOTHER[1] ) *1000

TOT_AEROPFAS    ,ug m-3     , AHFPODAJ[1]+ AHFPODAFJ[1]+ ATFEJ[1]+ AHFPOJ[1]+ AHFPJ[1]+ AE2J[1]+ APSEPVEJ[1]+ APAFJ[1]+ ACH3FJ[1]+ APPVEJ[1]+ APMVEJ[1]+ APEVEJ[1]+ APFBJ[1]+ APMPFJ[1]+ ATAF2J[1]+ AEVEJ[1]+ ACOF2J[1]+ AE1J[1]+ APEPFJ[1]+ ADAJ[1]+ AHFPOTAJ[1]+ ATAFJ[1]+ AMAJ[1]+ AF113J[1]+ ATFF4J[1]+ ACF3HJ[1]+ APFASOTHERJ[1] 
 
