MODULE chem1_list IMPLICIT NONE CHARACTER(LEN=24),PARAMETER :: chemical_mechanism='RELACS' INTEGER,PARAMETER :: maxnspecies= 200 INTEGER,PARAMETER :: nspecies=047 !Name of species CHARACTER(LEN=8),PARAMETER,DIMENSION(nspecies) :: spc_name=(/ & 'O3 ' & ! ,'H2O2' & ! ,'NO ' & ! ,'NO2 ' & ! ,'NO3 ' & ! ,'N2O5' & ! ,'HONO' & ! ,'HNO3' & ! ,'HNO4' & ! ,'SO2 ' & ! ,'SULF' & ! ,'CO ' & ! ,'CO2 ' & ! ,'N2 ' & ! ,'O2 ' & ! ,'H2O ' & ! ,'H2 ' & ! ,'O3P ' & ! ,'O1D ' & ! ,'HO ' & ! ,'HO2 ' & ! ,'CH4 ' & ! ,'ETH ' & ! ,'ALKA' & ! ,'ALKE' & ! ,'BIO ' & ! ,'ARO ' & ! ,'HCHO' & ! ,'ALD ' & ! ,'KET ' & ! ,'CRBO' & ! ,'ONIT' & ! ,'PAN ' & ! ,'OP1 ' & ! ,'OP2 ' & ! ,'ORA1' & ! ,'ORA2' & ! ,'MO2 ' & ! ,'AKAP' & ! ,'AKEP' & ! ,'BIOP' & ! ,'PHO ' & ! ,'ADD ' & ! ,'AROP' & ! ,'CBOP' & ! ,'OLN ' & ! ,'XO2 ' & ! /) !Number of each specie INTEGER,PARAMETER :: O3 =001 INTEGER,PARAMETER :: H2O2=002 INTEGER,PARAMETER :: NO =003 INTEGER,PARAMETER :: NO2 =004 INTEGER,PARAMETER :: NO3 =005 INTEGER,PARAMETER :: N2O5=006 INTEGER,PARAMETER :: HONO=007 INTEGER,PARAMETER :: HNO3=008 INTEGER,PARAMETER :: HNO4=009 INTEGER,PARAMETER :: SO2 =010 INTEGER,PARAMETER :: SULF=011 INTEGER,PARAMETER :: CO =012 INTEGER,PARAMETER :: CO2 =013 INTEGER,PARAMETER :: N2 =014 INTEGER,PARAMETER :: O2 =015 INTEGER,PARAMETER :: H2O =016 INTEGER,PARAMETER :: H2 =017 INTEGER,PARAMETER :: O3P =018 INTEGER,PARAMETER :: O1D =019 INTEGER,PARAMETER :: HO =020 INTEGER,PARAMETER :: HO2 =021 INTEGER,PARAMETER :: CH4 =022 INTEGER,PARAMETER :: ETH =023 INTEGER,PARAMETER :: ALKA=024 INTEGER,PARAMETER :: ALKE=025 INTEGER,PARAMETER :: BIO =026 INTEGER,PARAMETER :: ARO =027 INTEGER,PARAMETER :: HCHO=028 INTEGER,PARAMETER :: ALD =029 INTEGER,PARAMETER :: KET =030 INTEGER,PARAMETER :: CRBO=031 INTEGER,PARAMETER :: ONIT=032 INTEGER,PARAMETER :: PAN =033 INTEGER,PARAMETER :: OP1 =034 INTEGER,PARAMETER :: OP2 =035 INTEGER,PARAMETER :: ORA1=036 INTEGER,PARAMETER :: ORA2=037 INTEGER,PARAMETER :: MO2 =038 INTEGER,PARAMETER :: AKAP=039 INTEGER,PARAMETER :: AKEP=040 INTEGER,PARAMETER :: BIOP=041 INTEGER,PARAMETER :: PHO =042 INTEGER,PARAMETER :: ADD =043 INTEGER,PARAMETER :: AROP=044 INTEGER,PARAMETER :: CBOP=045 INTEGER,PARAMETER :: OLN =046 INTEGER,PARAMETER :: XO2 =047 !for memory allocattion: !This parameters are use for documentation only. !Use them in a program in substitution of numerical terms. INTEGER,PARAMETER :: src = 1 ! source term INTEGER,PARAMETER :: ddp = 2 ! dry deposition INTEGER,PARAMETER :: wdp = 3 ! wet deposition INTEGER,PARAMETER :: fdda = 4! four-dim assimilation INTEGER,PARAMETER :: offline = 5! ! off-line emissions: !=1, emission will be read from file !=0, emission will be calculated during the model simulation (on-line emission) INTEGER,PARAMETER :: transport = 6! ! off-line emissions: !=1, yes !=0, no transport INTEGER,PARAMETER :: on = 1 INTEGER,PARAMETER :: off = 0 ! spaction(specie,[1=source,2=drydep,3=wetdep,4=fdda,5=offline emission,6=transport]) ]) INTEGER,PARAMETER,DIMENSION(6,nspecies) :: spc_alloc=RESHAPE((/ & 0 , 1 , 1 , 1 , 0 , 1 , & ! O3 - 001 0 , 1 , 1 , 0 , 0 , 1 , & ! H2O2 - 002 1 , 1 , 1 , 1 , 1 , 1 , & ! NO - 003 1 , 1 , 1 , 1 , 1 , 1 , & ! NO2 - 004 0 , 1 , 1 , 0 , 0 , 1 , & ! NO3 - 005 0 , 1 , 1 , 0 , 0 , 1 , & ! N2O5 - 006 0 , 1 , 1 , 0 , 0 , 1 , & ! HONO - 007 0 , 1 , 1 , 1 , 0 , 1 , & ! HNO3 - 008 0 , 1 , 1 , 0 , 0 , 1 , & ! HNO4 - 009 1 , 1 , 1 , 0 , 0 , 1 , & ! SO2 - 010 0 , 1 , 1 , 0 , 0 , 1 , & ! SULF - 011 1 , 1 , 1 , 1 , 1 , 1 , & ! CO - 012 0 , 0 , 0 , 0 , 0 , 0 , & ! CO2 - 013 0 , 0 , 0 , 0 , 0 , 0 , & ! N2 - 014 0 , 0 , 0 , 0 , 0 , 0 , & ! O2 - 015 0 , 0 , 0 , 0 , 0 , 0 , & ! H2O - 016 0 , 0 , 0 , 0 , 0 , 0 , & ! H2 - 017 0 , 0 , 0 , 0 , 0 , 0 , & ! O3P - 018 0 , 0 , 0 , 0 , 0 , 0 , & ! O1D - 019 0 , 1 , 1 , 0 , 0 , 1 , & ! HO - 020 0 , 1 , 1 , 0 , 0 , 1 , & ! HO2 - 021 1 , 1 , 1 , 1 , 1 , 1 , & ! CH4 - 022 1 , 1 , 1 , 1 , 1 , 1 , & ! ETH - 023 1 , 1 , 1 , 1 , 1 , 1 , & ! ALKA - 024 1 , 1 , 1 , 1 , 1 , 1 , & ! ALKE - 025 1 , 1 , 1 , 1 , 1 , 1 , & ! BIO - 026 1 , 1 , 1 , 1 , 1 , 1 , & ! ARO - 027 1 , 1 , 1 , 1 , 1 , 1 , & ! HCHO - 028 1 , 1 , 1 , 1 , 1 , 1 , & ! ALD - 029 1 , 1 , 1 , 1 , 1 , 1 , & ! KET - 030 0 , 1 , 1 , 1 , 0 , 1 , & ! CRBO - 031 0 , 1 , 1 , 0 , 0 , 1 , & ! ONIT - 032 0 , 1 , 1 , 1 , 0 , 1 , & ! PAN - 033 0 , 1 , 1 , 0 , 0 , 1 , & ! OP1 - 034 0 , 1 , 1 , 0 , 0 , 1 , & ! OP2 - 035 1 , 1 , 1 , 0 , 1 , 1 , & ! ORA1 - 036 1 , 1 , 1 , 0 , 1 , 1 , & ! ORA2 - 037 0 , 0 , 0 , 0 , 0 , 0 , & ! MO2 - 038 0 , 0 , 0 , 0 , 0 , 0 , & ! AKAP - 039 0 , 0 , 0 , 0 , 0 , 0 , & ! AKEP - 040 0 , 0 , 0 , 0 , 0 , 0 , & ! BIOP - 041 0 , 0 , 0 , 0 , 0 , 0 , & ! PHO - 042 0 , 0 , 0 , 0 , 0 , 0 , & ! ADD - 043 0 , 0 , 0 , 0 , 0 , 0 , & ! AROP - 044 0 , 0 , 0 , 0 , 0 , 0 , & ! CBOP - 045 0 , 0 , 0 , 0 , 0 , 0 , & ! OLN - 046 0 , 0 , 0 , 0 , 0 , 0 & ! XO2 - 047 /),(/6,nspecies/)) INTEGER,PARAMETER,DIMENSION(nspecies) :: spc_uveq=(/ & 00, & !O3 00, & !H2O2 00, & !NO 00, & !NO2 00, & !NO3 00, & !N2O5 00, & !HONO 00, & !HNO3 00, & !HNO4 00, & !SO2 00, & !SULF 00, & !CO 00, & !CO2 00, & !N2 00, & !O2 00, & !H2O 00, & !H2 00, & !O3P 00, & !O1D 00, & !HO 00, & !HO2 00, & !CH4 00, & !ETH 00, & !ALKA 00, & !ALKE 00, & !BIO 00, & !ARO 00, & !HCHO 00, & !ALD 00, & !KET 00, & !CRBO 00, & !ONIT 00, & !PAN 00, & !OP1 00, & !OP2 00, & !ORA1 00, & !ORA2 00, & !MO2 00, & !AKAP 00, & !AKEP 00, & !BIOP 00, & !PHO 00, & !ADD 00, & !AROP 00, & !CBOP 00, & !OLN 00 & !XO2 /) ! HENRYS LAW COEFFICIENTS ! Henrys law coefficient ! [KH298]=mole/(l atm) ! Referencias em R. Sander (1999) ! Compilation of Henry Law Constants ! for Inorganic and Organic Species ! of Potential Importance in ! Environmental Chemistry (Version 3) ! http://www.henrys-law.org ! * indica artigos nao encontrados nesse endereco eletronico REAL,PARAMETER,DIMENSION(nspecies) :: hstar=(/& 1.10E-2 , & ! O3 - 001 8.30E+4 , & ! H2O2 - 002 1.90E-3 , & ! NO - 003 1.20E-2 , & ! NO2 - 004 6.1E-01 , & ! NO3 - 005 2.1E+00 , & ! N2O5 - 006 5.00E+1 , & ! HONO - 007 2.10E+5 , & ! HNO3 - 008 1.20E+4 , & ! HNO4 - 009 1.40E+0 , & ! SO2 - 010 2.10E+5 , & ! SULF - 011 9.90E-4 , & ! CO - 012 3.6E-02 , & ! CO2 - 013 6.1E-04 , & ! N2 - 014 1.3E-03 , & ! O2 - 015 0.0E+00 , & ! H2O - 016 7.8E-04 , & ! H2 - 017 0.00E+0 , & ! O3P - 018 0.00E+0 , & ! O1D - 019 3.00E+1 , & ! HO - 020 5.70E+3 , & ! HO2 - 021 1.40E-3 , & ! CH4 - 022 1.90E-3 , & ! ETH - 023 1.00E-3 , & ! ALKA - 024 5.00E-3 , & ! ALKE - 025 2.80E-2 , & ! BIO - 026 1.73E-1 , & ! ARO - 027 3.20E+3 , & ! HCHO - 028 1.40E+1 , & ! ALD - 029 3.00E+1 , & ! KET - 030 2.1E+05 , & ! CRBO - 031 1.00E+0 , & ! ONIT - 032 3.60E+0 , & ! PAN - 033 3.10E+2 , & ! OP1 - 034 3.40E+2 , & ! OP2 - 035 8.90E+3 , & ! ORA1 - 036 4.10E+3 , & ! ORA2 - 037 2.00E+3 , & ! MO2 - 038 0.0E+00 , & ! AKAP - 039 0.0E+00 , & ! AKEP - 040 0.0E+00 , & ! BIOP - 041 0.0E+00 , & ! PHO - 042 0.0E+00 , & ! ADD - 043 0.0E+00 , & ! AROP - 044 1.14E+1 , & ! CBOP - 045 0.0E+00 , & ! OLN - 046 0.0E+00 & ! XO2 - 047 /) ! [1] Noziere B. et al. The uptake of methyl vinyl ketone, methacrolein, ! and 2-methyl-3-butene-2-olonto sulfuric acid solutions,Journal of Physical ! Chemistry A, Vol.110, No.7, 2387-2395, 2006. ! [2] Abraham M. H. et al. Partition of compounds from gas to water and ! from gas to physiological saline at 310K: Linear free energy relationships, ! elsevier, 2006. REAL,PARAMETER,DIMENSION(nspecies) :: f0=(/& 1.0 , & ! O3 - 001 1.0 , & ! H2O2 - 002 0.0 , & ! NO - 003 0.1 , & ! NO2 - 004 0.0 , & ! NO3 - 005 0.0 , & ! N2O5 - 006 0.0 , & ! HONO - 007 0.0 , & ! HNO3 - 008 0.0 , & ! HNO4 - 009 0.0 , & ! SO2 - 010 0.0 , & ! SULF - 011 0.0 , & ! CO - 012 0.0 , & ! CO2 - 013 0.0 , & ! N2 - 014 0.0 , & ! O2 - 015 0.0 , & ! H2O - 016 0.0 , & ! H2 - 017 0.0 , & ! O3P - 018 0.0 , & ! O1D - 019 0.0 , & ! HO - 020 0.0 , & ! HO2 - 021 0.0 , & ! CH4 - 022 0.0 , & ! ETH - 023 0.0 , & ! ALKA - 024 0.0 , & ! ALKE - 025 0.0 , & ! BIO - 026 0.0 , & ! ARO - 027 0.0 , & ! HCHO - 028 0.0 , & ! ALD - 029 0.0 , & ! KET - 030 0.0 , & ! CRBO - 031 0.0 , & ! ONIT - 032 0.1 , & ! PAN - 033 0.1 , & ! OP1 - 034 0.1 , & ! OP2 - 035 0.0 , & ! ORA1 - 036 0.0 , & ! ORA2 - 037 0.0 , & ! MO2 - 038 0.0 , & ! AKAP - 039 0.0 , & ! AKEP - 040 0.0 , & ! BIOP - 041 0.0 , & ! PHO - 042 0.0 , & ! ADD - 043 0.0 , & ! AROP - 044 0.0 , & ! CBOP - 045 0.0 , & ! OLN - 046 0.0 & ! XO2 - 047 /) REAL,PARAMETER,DIMENSION(nspecies) :: difrat=(/& 1.6 , & ! O3 - 001 1.4 , & ! H2O2 - 002 1.3 , & ! NO - 003 1.6 , & ! NO2 - 004 1.9 , & ! NO3 - 005 2.4 , & ! N2O5 - 006 1.6 , & ! HONO - 007 1.9 , & ! HNO3 - 008 2.1 , & ! HNO4 - 009 1.9 , & ! SO2 - 010 2.3 , & ! SULF - 011 1.2 , & ! CO - 012 1.6 , & ! CO2 - 013 1.2 , & ! N2 - 014 1.3 , & ! O2 - 015 1.0 , & ! H2O - 016 0.3 , & ! H2 - 017 0.9 , & ! O3P - 018 0.9 , & ! O1D - 019 1.0 , & ! HO - 020 1.4 , & ! HO2 - 021 0.9 , & ! CH4 - 022 1.3 , & ! ETH - 023 1.9 , & ! ALKA - 024 1.4 , & ! ALKE - 025 1.9 , & ! BIO - 026 2.3 , & ! ARO - 027 1.3 , & ! HCHO - 028 1.6 , & ! ALD - 029 2.0 , & ! KET - 030 2.0 , & ! CRBO - 031 2.6 , & ! ONIT - 032 2.6 , & ! PAN - 033 1.6 , & ! OP1 - 034 1.9 , & ! OP2 - 035 1.6 , & ! ORA1 - 036 1.8 , & ! ORA2 - 037 1.6 , & ! MO2 - 038 2.4 , & ! AKAP - 039 2.2 , & ! AKEP - 040 2.5 , & ! BIOP - 041 2.4 , & ! PHO - 042 2.4 , & ! ADD - 043 2.9 , & ! AROP - 044 2.2 , & ! CBOP - 045 2.7 , & ! OLN - 046 1.6 & ! XO2 - 047 /) ! DIFFUSION COEFFICIENTS ! [DV]=cm2/s (assumed: 1/SQRT(molar mass) when not known) REAL,PARAMETER,DIMENSION(nspecies) :: dvj=(/& 0.1443400 , & ! O3 - 001 0.1715000 , & ! H2O2 - 002 0.1825700 , & ! NO - 003 0.1474400 , & ! NO2 - 004 0.1270000 , & ! NO3 - 005 0.0962300 , & ! N2O5 - 006 0.1458600 , & ! HONO - 007 0.1259900 , & ! HNO3 - 008 0.1125100 , & ! HNO4 - 009 0.1250000 , & ! SO2 - 010 0.1010200 , & ! SULF - 011 0.1889800 , & ! CO - 012 0.1507600 , & ! CO2 - 013 0.1889800 , & ! N2 - 014 0.1767800 , & ! O2 - 015 0.2357000 , & ! H2O - 016 0.7071100 , & ! H2 - 017 0.2500000 , & ! O3P - 018 0.2500000 , & ! O1D - 019 0.2425400 , & ! HO - 020 0.1740800 , & ! HO2 - 021 0.2500000 , & ! CH4 - 022 0.1825700 , & ! ETH - 023 0.1273600 , & ! ALKA - 024 0.1739100 , & ! ALKE - 025 0.1212700 , & ! BIO - 026 0.1010700 , & ! ARO - 027 0.1825700 , & ! HCHO - 028 0.1507600 , & ! ALD - 029 0.1178500 , & ! KET - 030 0.1206700 , & ! CRBO - 031 0.0916700 , & ! ONIT - 032 0.0902300 , & ! PAN - 033 0.1443400 , & ! OP1 - 034 0.1258400 , & ! OP2 - 035 0.1474400 , & ! ORA1 - 036 0.1291000 , & ! ORA2 - 037 0.1458600 , & ! MO2 - 038 0.0986900 , & ! AKAP - 039 0.1063200 , & ! AKEP - 040 0.0924500 , & ! BIOP - 041 0.0966700 , & ! PHO - 042 0.0966300 , & ! ADD - 043 0.0812100 , & ! AROP - 044 0.1080100 , & ! CBOP - 045 0.0857500 , & ! OLN - 046 0.1507600 & ! XO2 - 047 /) ! -DH/R (for temperature correction) ! [-DH/R]=K ! Referencias em R. Sander (1999) ! Compilation of Henry Law Constants ! for Inorganic and Organic Species ! of Potential Importance in ! Environmental Chemistry (Version 3) ! http://www.henrys-law.org REAL,PARAMETER,DIMENSION(nspecies) :: dhr=(/& 2400. , & ! O3 - 001 7400. , & ! H2O2 - 002 1400. , & ! NO - 003 2500. , & ! NO2 - 004 2000. , & ! NO3 - 005 3400. , & ! N2O5 - 006 4900. , & ! HONO - 007 8700. , & ! HNO3 - 008 6900. , & ! HNO4 - 009 2900. , & ! SO2 - 010 0. , & ! SULF - 011 1300. , & ! CO - 012 2200. , & ! CO2 - 013 1300. , & ! N2 - 014 1500. , & ! O2 - 015 0. , & ! H2O - 016 500. , & ! H2 - 017 0. , & ! O3P - 018 0. , & ! O1D - 019 4500. , & ! HO - 020 5900. , & ! HO2 - 021 1600. , & ! CH4 - 022 2300. , & ! ETH - 023 2700. , & ! ALKA - 024 3000. , & ! ALKE - 025 0. , & ! BIO - 026 4045. , & ! ARO - 027 6800. , & ! HCHO - 028 5600. , & ! ALD - 029 4600. , & ! KET - 030 5300. , & ! CRBO - 031 5800. , & ! ONIT - 032 6500. , & ! PAN - 033 5200. , & ! OP1 - 034 6000. , & ! OP2 - 035 5700. , & ! ORA1 - 036 6300. , & ! ORA2 - 037 6600. , & ! MO2 - 038 0. , & ! AKAP - 039 0. , & ! AKEP - 040 0. , & ! BIOP - 041 0. , & ! PHO - 042 0. , & ! ADD - 043 0. , & ! AROP - 044 0. , & ! CBOP - 045 0. , & ! OLN - 046 0. & ! XO2 - 047 /) REAL,PARAMETER,DIMENSION(nspecies) :: weight=(/& 48. , & ! O3 - 001 34. , & ! H2O2 - 002 30. , & ! NO - 003 46. , & ! NO2 - 004 62. , & ! NO3 - 005 108. , & ! N2O5 - 006 47. , & ! HONO - 007 63. , & ! HNO3 - 008 79. , & ! HNO4 - 009 64. , & ! SO2 - 010 98. , & ! SULF - 011 28. , & ! CO - 012 44. , & ! CO2 - 013 28. , & ! N2 - 014 32. , & ! O2 - 015 18. , & ! H2O - 016 2. , & ! H2 - 017 16. , & ! O3P - 018 16. , & ! O1D - 019 17. , & ! HO - 020 33. , & ! HO2 - 021 16. , & ! CH4 - 022 30. , & ! ETH - 023 61.6 , & ! ALKA - 024 33.0 , & ! ALKE - 025 68. , & ! BIO - 026 97.9 , & ! ARO - 027 30. , & ! HCHO - 028 44. , & ! ALD - 029 72. , & ! KET - 030 68.6 , & ! CRBO - 031 119. , & ! ONIT - 032 122. , & ! PAN - 033 48. , & ! OP1 - 034 62. , & ! OP2 - 035 46. , & ! ORA1 - 036 60. , & ! ORA2 - 037 47. , & ! MO2 - 038 102. , & ! AKAP - 039 88.4 , & ! AKEP - 040 117. , & ! BIOP - 041 107. , & ! PHO - 042 107. , & ! ADD - 043 151. , & ! AROP - 044 85.4 , & ! CBOP - 045 136. , & ! OLN - 046 44. & ! XO2 - 047 /) REAL,PARAMETER,DIMENSION(nspecies) :: init_ajust=(/& 1.0 , & ! O3 - 001 1.0 , & ! H2O2 - 002 1.0 , & ! NO - 003 1.0 , & ! NO2 - 004 1.0 , & ! NO3 - 005 1.0 , & ! N2O5 - 006 1.0 , & ! HONO - 007 1.0 , & ! HNO3 - 008 1.0 , & ! HNO4 - 009 1.0 , & ! SO2 - 010 1.0 , & ! SULF - 011 1.0 , & ! CO - 012 1.0 , & ! CO2 - 013 1.0 , & ! N2 - 014 1.0 , & ! O2 - 015 1.0 , & ! H2O - 016 1.0 , & ! H2 - 017 1.0 , & ! O3P - 018 1.0 , & ! O1D - 019 1.0 , & ! HO - 020 1.0 , & ! HO2 - 021 1.0 , & ! CH4 - 022 1.0 , & ! ETH - 023 1.0 , & ! ALKA - 024 1.0 , & ! ALKE - 025 1.0 , & ! BIO - 026 1.0 , & ! ARO - 027 1.0 , & ! HCHO - 028 1.0 , & ! ALD - 029 1.0 , & ! KET - 030 1.0 , & ! CRBO - 031 1.0 , & ! ONIT - 032 1.0 , & ! PAN - 033 1.0 , & ! OP1 - 034 1.0 , & ! OP2 - 035 1.0 , & ! ORA1 - 036 1.0 , & ! ORA2 - 037 1.0 , & ! MO2 - 038 1.0 , & ! AKAP - 039 1.0 , & ! AKEP - 040 1.0 , & ! BIOP - 041 1.0 , & ! PHO - 042 1.0 , & ! ADD - 043 1.0 , & ! AROP - 044 1.0 , & ! CBOP - 045 1.0 , & ! OLN - 046 1.0 & ! XO2 - 047 /) REAL,PARAMETER,DIMENSION(nspecies) :: emiss_ajust=(/& 1.0 , & ! O3 - 001 1.0 , & ! H2O2 - 002 1.0 , & ! NO - 003 1.0 , & ! NO2 - 004 1.0 , & ! NO3 - 005 1.0 , & ! N2O5 - 006 1.0 , & ! HONO - 007 1.0 , & ! HNO3 - 008 1.0 , & ! HNO4 - 009 1.0 , & ! SO2 - 010 1.0 , & ! SULF - 011 1.0 , & ! CO - 012 1.0 , & ! CO2 - 013 1.0 , & ! N2 - 014 1.0 , & ! O2 - 015 1.0 , & ! H2O - 016 1.0 , & ! H2 - 017 1.0 , & ! O3P - 018 1.0 , & ! O1D - 019 1.0 , & ! HO - 020 1.0 , & ! HO2 - 021 1.0 , & ! CH4 - 022 1.0 , & ! ETH - 023 1.0 , & ! ALKA - 024 1.0 , & ! ALKE - 025 1.0 , & ! BIO - 026 1.0 , & ! ARO - 027 1.0 , & ! HCHO - 028 1.0 , & ! ALD - 029 1.0 , & ! KET - 030 1.0 , & ! CRBO - 031 1.0 , & ! ONIT - 032 1.0 , & ! PAN - 033 1.0 , & ! OP1 - 034 1.0 , & ! OP2 - 035 1.0 , & ! ORA1 - 036 1.0 , & ! ORA2 - 037 1.0 , & ! MO2 - 038 1.0 , & ! AKAP - 039 1.0 , & ! AKEP - 040 1.0 , & ! BIOP - 041 1.0 , & ! PHO - 042 1.0 , & ! ADD - 043 1.0 , & ! AROP - 044 1.0 , & ! CBOP - 045 1.0 , & ! OLN - 046 1.0 & ! XO2 - 047 /) ! ACID DISSOCIATION CONSTANT AT 298K ! [mole/liter of liquid water] ! Referencias: Barth et al. JGR 112, D13310 2007 ! Martell and Smith, 1976, Critical stability ! vol1-4 Plenum Press New York REAL,PARAMETER,DIMENSION(nspecies) :: ak0=(/& 0.00E+00 , & ! O3 - 001 2.20E-12 , & ! H2O2 - 002 0.00E+00 , & ! NO - 003 0.00E+00 , & ! NO2 - 004 0.00E+00 , & ! NO3 - 005 0.00E+00 , & ! N2O5 - 006 7.10E-04 , & ! HONO - 007 1.54E+01 , & ! HNO3 - 008 0.00E+00 , & ! HNO4 - 009 1.30E-02 , & ! SO2 - 010 1.00E-02 , & ! SULF - 011 0.00E+00 , & ! CO - 012 4.50E-07 , & ! CO2 - 013 0.00E+00 , & ! N2 - 014 0.00E+00 , & ! O2 - 015 0.00E+00 , & ! H2O - 016 0.00E+00 , & ! H2 - 017 0.00E+00 , & ! O3P - 018 0.00E+00 , & ! O1D - 019 0.00E+00 , & ! HO - 020 3.50E-05 , & ! HO2 - 021 0.00E+00 , & ! CH4 - 022 0.00E+00 , & ! ETH - 023 0.00E+00 , & ! ALKA - 024 0.00E+00 , & ! ALKE - 025 0.00E+00 , & ! BIO - 026 0.00E+00 , & ! ARO - 027 0.00E+00 , & ! HCHO - 028 0.00E+00 , & ! ALD - 029 0.00E+00 , & ! KET - 030 0.00E+00 , & ! CRBO - 031 0.00E+00 , & ! ONIT - 032 0.00E+00 , & ! PAN - 033 0.00E+00 , & ! OP1 - 034 0.00E+00 , & ! OP2 - 035 1.80E-04 , & ! ORA1 - 036 1.75E-05 , & ! ORA2 - 037 0.00E+00 , & ! MO2 - 038 0.00E+00 , & ! AKAP - 039 0.00E+00 , & ! AKEP - 040 0.00E+00 , & ! BIOP - 041 0.00E+00 , & ! PHO - 042 0.00E+00 , & ! ADD - 043 0.00E+00 , & ! AROP - 044 0.00E+00 , & ! CBOP - 045 0.00E+00 , & ! OLN - 046 0.00E+00 & ! XO2 - 047 /) ! Temperature correction factor for ! acid dissociation constants ! [K] ! Referencias: Barth et al. JGR 112, D13310 2007 REAL,PARAMETER,DIMENSION(nspecies) :: dak=(/& 0. , & ! O3 - 001 -3700. , & ! H2O2 - 002 0. , & ! NO - 003 0. , & ! NO2 - 004 0. , & ! NO3 - 005 0. , & ! N2O5 - 006 0. , & ! HONO - 007 0. , & ! HNO3 - 008 0. , & ! HNO4 - 009 2000. , & ! SO2 - 010 0. , & ! SULF - 011 0. , & ! CO - 012 -1000. , & ! CO2 - 013 0. , & ! N2 - 014 0. , & ! O2 - 015 0. , & ! H2O - 016 0. , & ! H2 - 017 0. , & ! O3P - 018 0. , & ! O1D - 019 0. , & ! HO - 020 0. , & ! HO2 - 021 0. , & ! CH4 - 022 0. , & ! ETH - 023 0. , & ! ALKA - 024 0. , & ! ALKE - 025 0. , & ! BIO - 026 0. , & ! ARO - 027 0. , & ! HCHO - 028 0. , & ! ALD - 029 0. , & ! KET - 030 0. , & ! CRBO - 031 0. , & ! ONIT - 032 0. , & ! PAN - 033 0. , & ! OP1 - 034 0. , & ! OP2 - 035 -1500. , & ! ORA1 - 036 0. , & ! ORA2 - 037 0. , & ! MO2 - 038 0. , & ! AKAP - 039 0. , & ! AKEP - 040 0. , & ! BIOP - 041 0. , & ! PHO - 042 0. , & ! ADD - 043 0. , & ! AROP - 044 0. , & ! CBOP - 045 0. , & ! OLN - 046 0. & ! XO2 - 047 /) INTEGER,PARAMETER :: nr =128!Number of gas-phase reactions INTEGER,PARAMETER :: nrt =128!Total Number of reactions INTEGER,PARAMETER :: nrh2o=000!Number of aqueous-phase reactions !------------------------------------------------------------------------------ ! Photolysis Rate Calculation: method used (LUT=look_up_table, FAST-JX= on-line) CHARACTER(LEN=10),PARAMETER :: PhotojMethod= 'LUT' INTEGER,PARAMETER :: maxJcomb= 5, nr_photo= 1 INTEGER,PARAMETER,DIMENSION(nr_photo) :: nfactors=(/ & 0/)! 1 DOUBLE PRECISION,PARAMETER,DIMENSION(maxJcomb,nr_photo) :: factor=RESHAPE((/ & 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00/),(/maxJcomb,nr_photo/)) CHARACTER(LEN=07 ),PARAMETER,DIMENSION(maxJcomb,nr_photo) :: JReactionComp=RESHAPE((/ & "NONE ","NONE ","NONE ","NONE ","NONE "/),(/maxJcomb,nr_photo/)) END MODULE chem1_list