!###############################################################################! ! CCATT-BRAMS/MCGA-CPTEC/WRF emission model CPTEC/INPE ! ! Version 1.0.0: 12/nov/2010 ! ! Coded by Saulo Freitas and Karla Longo ! ! Contact: gmai@cptec.inpe.br - http://meioambiente.cptec.inpe.br ! !###############################################################################! subroutine convert_retro_to_relacs_reac(isp,iespc,ident,spc_name) !kml !use chem1_list use emiss_vars_emissions use retro_emissions, only: retro_nspecies=>nspecies& ,retro_spc_name=>spc_name& ,retro_g & ,ACIDS & ,ALCOHOLS & ,BENZENE & ,C2H2 & ,C2H4 & ,C2H6 & ,C3H6 & ,C3H8 & ,C4H10 & ,C5H12 & ,C6H14_PLUS_HIGHER_ALKANES & ,CHLORINATED_HYDROCARBONS & ,CO & ,ESTERS & ,ETHERS & ,KETONES & ,METHANAL & ,NOX & ,OTHER_ALKANALS & ,OTHER_AROMATICS & ,OTHER_VOC & ,TOLUENE & ,TRIMETHYLBENZENES & ,XYLENE !implicit none ! < necessario para outros esquemas integer, intent(in) :: isp integer, intent(inout) :: iespc,ident character (len=*), intent(in) :: spc_name !kml !-- Retro | RELACS !-- Emissions for RACM weighted by Agregation factor Agg (only organics) !-- Agregation factors for RACM can be found in Stockwell et al 1997, !-- J. Geos Res. 102, 25847-25879 !-- Agregation factors for RELACS can be found in Crassier et al 2000, !-- Atmos.Environ. 34 2633-2644 !if (isp.le.chem_nspecies) then ! spc_name(isp) = spc_chem_name (isp) ! else ! iv=chem_nspecies !endif !if(isp.gt.chem_nspecies) then ! iv=iv+1 ! spc_name(iv) = spc_aer_name (imode,isp) ! endif !---------------------------------------------------------------------------- !- NOx =>NO, NO2 (?) change MP201108: NO=NOX/2 and NO2=NOX/2 in molecules (40% !and 60% in mass) if(spc_name == 'NO') then ident = NOx iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = 0.7*retro_g(ident)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif if(spc_name == 'NO2') then ident = NOx iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = 0.3*retro_g(ident)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- !- C2H6 => ETH (Agg_RACM=1) (Agg=1) if(spc_name == 'ETH') then ident = C2H6 iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = retro_g(ident)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- !- ALKA (m=62) ! C2H2 (m=26) (HC3) (Agg_RACM=0.41) => ALKA ! C3H8 (m=44) (HC3) (Agg_RACM=0.57) => ALKA ! C4H10 (m=58) (HC3) (Agg_RACM=1.11) => ALKA ! Chlorinated hydocarbon (mean weight m= 150) (Agg_RACM=1)* (HC3) => ALKA ! Esters (Stockwell, 1997)- CnH2nO2 75%n molecules ( mean weight m=83)(69% in mass)(Agg_RACM=1)*(HC3)=> ALKA ! alcohols (Stockwell, 1997) 96% in molecules (mean weight m=45) (95% in mass) (Agg_RACM=1.37) (HC3)=> ALKA !C5H12 (m=72) (HC5) (Agg_RACM=0.97) => ALKA !C6H14 and higher (Agg_RACM=0.97) (Stockwell, 1997)50% in molecules (mean weight m=86)(43% in mass) (HC5) => ALKA !Esters - CnH2nO2 (Agg_RACM=1)* (Stockwell, 1997) 25% in molecules (mean weight = 112) (31% in mass)(HC5) => ALKA !- alcohols (Stockwell, 1997) 4% in molecules (mean weight m=60)(5% in mass) (Agg_RACM=1.07) (HC5) => ALKA !- C6H14 + higher alkanes (stockwell, 1997) 50% in molecules (mean weight m=114)(57% in mass)(HC8)=>ALKA !-- (Agg_RACM=0.97) !-- AggRELACS: !--HC3 0.77 !--HC5 1.23 !--HC8 1.58 if(spc_name == 'ALKA') then ident = ALKA iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = 0.77*0.41*retro_g(C2H2 )%src(:,:,1) +& 0.77*0.57*retro_g(C3H8 )%src(:,:,1) +& 0.77*1.11*retro_g(C4H10)%src(:,:,1) +& 0.77*retro_g(CHLORINATED_HYDROCARBONS)%src(:,:,1) +& 0.69*0.77*retro_g(ESTERS) %src(:,:,1) +& 0.95*0.77*1.37*retro_g(ALCOHOLS)%src(:,:,1) +& 1.23*0.97*retro_g(C5H12 )%src(:,:,1) + & 1.23*0.97*0.43*retro_g(C6H14_PLUS_HIGHER_ALKANES )%src(:,:,1) +& 1.23*0.31*retro_g(ESTERS)%src(:,:,1) +& 1.23*1.07*0.05*retro_g(ALCOHOLS)%src(:,:,1) +& 1.58*0.97*0.57*retro_g(C6H14_PLUS_HIGHER_ALKANES)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- !- ALKE (m=33) ! C3H6 (m=42) (OLT) (Agg_RACM=1) => ALKE (OLT, Agg=1.04) ! C2H4 (m=28) (ETE) (Agg_RACM=1) => ALKE (ETE, Agg=0.96) if(spc_name == 'ALKE') then ident = ALKE iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = 1.04*retro_g(C3H6)%src(:,:,1) + & 0.96*retro_g(C2H4)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- !- ARO (m=98) ! Trimethylbenzene (C9H12 m=120) (XYL) (Agg_RACM=1) => ARO (XYL, Agg=1.04) ! Xylene (C8H10 m=106) (XYL) (Agg_RACM=1) => ARO (XYL, Agg=1.04) ! Other aromatics m=106) (XYL) (Agg_RACM=1) => ARO (XYL, Agg=1.04) ! Toluene (C7H8) (TOL) (Agg_RACM=1) => ARO (TOL, Agg=0.87) ! Benzene C6H6 (m=82) (TOL) (Agg_RACM=0.29) => ARO (TOL, Agg=0.87) if(spc_name == 'ARO') then ident = ARO iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = 1.04*retro_g(Trimethylbenzenes)%src(:,:,1) +& 1.04*retro_g(Xylene )%src(:,:,1) +& 1.04*retro_g(OTHER_AROMATICS )%src(:,:,1) +& 0.87*retro_g(Toluene )%src(:,:,1) +& 0.29*0.87*retro_g(Benzene )%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- ! Methanal => HCHO (Agg_RACM=1) (Agg=1) if(spc_name == 'HCHO') then ident = Methanal iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = retro_g(ident)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- ! ALD = 44 (Agg_RACM=1) (Agg=1) ! OTHER ALKANALS (assumed mainly acetaldehyde m =44) if(spc_name == 'ALD') then ident = OTHER_ALKANALS iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = retro_g(ident)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- ! Ketones => KET (Agg_RACM=1) (Agg=1) (no weighting) if(spc_name == 'KET') then ident = Ketones iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = retro_g(ident)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- !ORA1 (m=46) (Agg_RACM=1) (Agg=1) !Acids => ORA1 (formic acid ) : assumed 50% in molecules (44% in mass) of acids if(spc_name == 'ORA1') then ident = ACIDS iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = 0.44*retro_g(ident)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif !---------------------------------------------------------------------------- ! ORA2 (m=60) (Agg_RACM=1) (Agg=1) !Acids => ORA2 (acetic acid and higher acids) : assumed 50% in !molecules (56% in mass) of acids if(spc_name == 'ORA2') then ident = ACIDS iespc = iespc+1 emiss_spc_name(iespc,antro) = spc_name emiss_g(iespc)%src_antro(:,:,1) = 0.56*retro_g(ident)%src(:,:,1) found_emiss_spc(iespc,antro) = 1 print*,'==> converted from retro - found for ',spc_name return endif end subroutine convert_retro_to_relacs_reac