! 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. 
!
! Species mapping is based on CMAQ v5.2 CB6r3 with nonvolatile POA
!
! Conversion from ppm to ug/m3: gas mixing ratio*1000*DENS[2]*MW/28.9647 where 28.9647 is the assumed molecular weight of dry air
!
! File [1]: CMAQ conc/aconc file
! File [2]: METCRO3D file
!
! new species,units,expression

aVOC,ug/m3,1000.0*DENS[2]/28.9647*(PAR[1]*72.1+ETH[1]*28+ETHY[1]*26+MEOH[1]*32+ETOH[1]*46.1+OLE[1]*42.1+TOL[1]*92.1+XYLMN[1]*106.2+FORM[1]*30+ALD2[1]*44+ETHA[1]*30.1+IOLE[1]*56.1+ALDX[1]*58.1+NAPH[1]*128.2+PRPA[1]*44.1+KET[1]*72.1)

bVOC,ug/m3,1000.0*DENS[2]/28.9647*(ISOP[1]*68.1+TERP[1]*136+SESQ[1]*204)

aSOA,ug/m3,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]

bSOA,ug/m3,AISO1J[1]+AISO2J[1]+AISO3J[1]+ATRP1J[1]+ATRP2J[1]+ASQTJ[1]+AOLGBJ[1]

bOrgPartitioning,fraction,bSOA[0]/(bSOA[0]+bVOC[0])

aOrgPartitioning,fraction,aSOA[0]/(aSOA[0]+aVOC[0])

TotalPM25,ug/m3,ASO4I[1]+ANO3I[1]+ANH4I[1]+ANAI[1]+ACLI[1]+AECI[1]+AOTHRI[1]+ASO4J[1]+ANO3J[1]+ANH4J[1]+ANAJ[1]+ACLJ[1]+AECJ[1]+AOTHRJ[1]+AFEJ[1]+ASIJ[1]+ATIJ[1]+ACAJ[1]+AMGJ[1]+AMNJ[1]+AALJ[1]+AKJ[1]+ALVPO1I[1]+ASVPO1I[1]+ASVPO2I[1]+ALVPO1J[1]+ASVPO1J[1]+ASVPO2J[1]+ASVPO3J[1]+AIVPO1J[1]+ALVOO1I[1]+ALVOO2I[1]+ASVOO1I[1]+ASVOO2I[1]+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]+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]

gNH,ug/m3,1000.0*(NH3[1]*DENS[2]*17.031/28.9647)

gNO,ug/m3,1000.0*((NO[1]*DENS[2]*30.01/28.9647) + (NO2[1]*DENS[2]*46/28.9647))

gS,ug/m3,1000.0*((SO2[1]*DENS[2]*64/28.9647) + (SULF[1]*DENS[2]*98/28.9647))

pNH,ug/m3,ANH4I[1]+ANH4J[1]

pNO,ug/m3,ANO3I[1]+ANO3J[1]

pS,ug/m3,ASO4I[1]+ASO4J[1]

NHPartitioning,fraction,pNH[0]/(gNH[0]+pNH[0])

NOPartitioning,fraction,pNO[0]/( gNO[0]+pNO[0]+(1000.0*DENS[2]/28.9647*(NO3[1]*62+2*N2O5[1]*108+HONO[1]*47+HNO3[1]*63+PNA[1]*79+CRON[1]*153+CLNO2[1]*81.5+PAN[1]*121+PANX[1]*121+OPAN[1]*161+NTR1[1]*119.1+NTR2[1]*135.1+INTR[1]*147.1)) )

SPartitioning,fraction,pS[0]/(gS[0]+pS[0])

NO_NO2partitioning,fraction,NO[1]/(NO[1]+NO2[1])

!!Original specie description from developer
!aVOC:description = Average anthropogenic VOC concentration
!aSOA:description = Average anthropogenic secondary organic aerosol concentration
!bSOA:description = Average biogenic secondary organic aerosol concentration
!NO_NO2partitioning:description = Mass fraction of N in NOx that exists as NO.
!bVOC:description = Average biogenic VOC concentration
!bOrgPartitioning:description = Mass fraction of biogenic organic matter in particle {vs. gas} phase
!aOrgPartitioning:description = Mass fraction of anthropogenic organic matter in particle {vs. gas} phase
!TotalPM25:description = Total PM2.5 concentration
!NHPartitioning:description = Mass fraction of N from NH3 in particle {vs. gas} phase
!NOPartitioning:description = Mass fraction of N from NOx in particle {vs. gas} phase
!SPartitioning:description = Mass fraction of S from SOx in particle {vs. gas} phase
!gNH:description = Average concentration of nitrogen fraction of gaseous ammonia
!gNO:description = Average concentration of nitrogen fraction of gaseous NOx
!gS:description = Average concentration of sulfur fraction of gaseous SOx
!pNH:description = Average concentration of nitrogen fraction of particulate ammonium
!pNO:description = Average concentration of nitrogen fraction of particulate NO3	
!pS:description = Average concentration of sulfur fraction of particulate sulfate
