MODULE chem1_list IMPLICIT NONE CHARACTER(LEN=24),PARAMETER :: chemical_mechanism='RACM' INTEGER,PARAMETER :: maxnspecies= 200 INTEGER,PARAMETER :: nspecies=072 !Name of species CHARACTER(LEN=8),PARAMETER,DIMENSION(nspecies) :: spc_name=(/ & 'O3 ' & ! ,'H2O2' & ! ,'NO ' & ! ,'NO2 ' & ! ,'NO3 ' & ! ,'N2O5' & ! ,'HONO' & ! ,'HNO3' & ! ,'HNO4' & ! ,'SO2 ' & ! ,'SULF' & ! ,'CO ' & ! ,'O3P ' & ! ,'O1D ' & ! ,'HO ' & ! ,'HO2 ' & ! ,'CH4 ' & ! ,'ETH ' & ! ,'HC3 ' & ! ,'HC5 ' & ! ,'HC8 ' & ! ,'ETE ' & ! ,'OLT ' & ! ,'OLI ' & ! ,'DIEN' & ! ,'ISO ' & ! ,'API ' & ! ,'LIM ' & ! ,'TOL ' & ! ,'XYL ' & ! ,'CSL ' & ! ,'HCHO' & ! ,'ALD ' & ! ,'KET ' & ! ,'GLY ' & ! ,'MGLY' & ! ,'DCB ' & ! ,'MACR' & ! ,'UDD ' & ! ,'HKET' & ! ,'ONIT' & ! ,'PAN ' & ! ,'TPAN' & ! ,'OP1 ' & ! ,'OP2 ' & ! ,'PAA ' & ! ,'ORA1' & ! ,'ORA2' & ! ,'MO2 ' & ! ,'ETHP' & ! ,'HC3P' & ! ,'HC5P' & ! ,'HC8P' & ! ,'ETEP' & ! ,'OLTP' & ! ,'OLIP' & ! ,'ISOP' & ! ,'APIP' & ! ,'LIMP' & ! ,'PHO ' & ! ,'ADDT' & ! ,'ADDX' & ! ,'ADDC' & ! ,'TOLP' & ! ,'XYLP' & ! ,'CSLP' & ! ,'ACO3' & ! ,'TCO3' & ! ,'KETP' & ! ,'OLNN' & ! ,'OLND' & ! ,'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 :: O3P =013 INTEGER,PARAMETER :: O1D =014 INTEGER,PARAMETER :: HO =015 INTEGER,PARAMETER :: HO2 =016 INTEGER,PARAMETER :: CH4 =017 INTEGER,PARAMETER :: ETH =018 INTEGER,PARAMETER :: HC3 =019 INTEGER,PARAMETER :: HC5 =020 INTEGER,PARAMETER :: HC8 =021 INTEGER,PARAMETER :: ETE =022 INTEGER,PARAMETER :: OLT =023 INTEGER,PARAMETER :: OLI =024 INTEGER,PARAMETER :: DIEN=025 INTEGER,PARAMETER :: ISO =026 INTEGER,PARAMETER :: API =027 INTEGER,PARAMETER :: LIM =028 INTEGER,PARAMETER :: TOL =029 INTEGER,PARAMETER :: XYL =030 INTEGER,PARAMETER :: CSL =031 INTEGER,PARAMETER :: HCHO=032 INTEGER,PARAMETER :: ALD =033 INTEGER,PARAMETER :: KET =034 INTEGER,PARAMETER :: GLY =035 INTEGER,PARAMETER :: MGLY=036 INTEGER,PARAMETER :: DCB =037 INTEGER,PARAMETER :: MACR=038 INTEGER,PARAMETER :: UDD =039 INTEGER,PARAMETER :: HKET=040 INTEGER,PARAMETER :: ONIT=041 INTEGER,PARAMETER :: PAN =042 INTEGER,PARAMETER :: TPAN=043 INTEGER,PARAMETER :: OP1 =044 INTEGER,PARAMETER :: OP2 =045 INTEGER,PARAMETER :: PAA =046 INTEGER,PARAMETER :: ORA1=047 INTEGER,PARAMETER :: ORA2=048 INTEGER,PARAMETER :: MO2 =049 INTEGER,PARAMETER :: ETHP=050 INTEGER,PARAMETER :: HC3P=051 INTEGER,PARAMETER :: HC5P=052 INTEGER,PARAMETER :: HC8P=053 INTEGER,PARAMETER :: ETEP=054 INTEGER,PARAMETER :: OLTP=055 INTEGER,PARAMETER :: OLIP=056 INTEGER,PARAMETER :: ISOP=057 INTEGER,PARAMETER :: APIP=058 INTEGER,PARAMETER :: LIMP=059 INTEGER,PARAMETER :: PHO =060 INTEGER,PARAMETER :: ADDT=061 INTEGER,PARAMETER :: ADDX=062 INTEGER,PARAMETER :: ADDC=063 INTEGER,PARAMETER :: TOLP=064 INTEGER,PARAMETER :: XYLP=065 INTEGER,PARAMETER :: CSLP=066 INTEGER,PARAMETER :: ACO3=067 INTEGER,PARAMETER :: TCO3=068 INTEGER,PARAMETER :: KETP=069 INTEGER,PARAMETER :: OLNN=070 INTEGER,PARAMETER :: OLND=071 INTEGER,PARAMETER :: XO2 =072 !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 , 0 , 1 , 1 , & ! NO - 003 1 , 1 , 1 , 0 , 0 , 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 , 0 , 0 , 1 , & ! HNO3 - 008 0 , 1 , 1 , 0 , 0 , 1 , & ! HNO4 - 009 1 , 1 , 1 , 1 , 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 , & ! O3P - 013 0 , 0 , 0 , 0 , 0 , 0 , & ! O1D - 014 0 , 1 , 1 , 0 , 0 , 1 , & ! HO - 015 0 , 1 , 1 , 0 , 0 , 1 , & ! HO2 - 016 1 , 1 , 1 , 1 , 1 , 1 , & ! CH4 - 017 1 , 1 , 1 , 1 , 1 , 1 , & ! ETH - 018 1 , 1 , 1 , 1 , 1 , 1 , & ! HC3 - 019 1 , 1 , 1 , 1 , 1 , 1 , & ! HC5 - 020 1 , 1 , 1 , 1 , 1 , 1 , & ! HC8 - 021 1 , 1 , 1 , 1 , 1 , 1 , & ! ETE - 022 1 , 1 , 1 , 1 , 1 , 1 , & ! OLT - 023 1 , 1 , 1 , 1 , 1 , 1 , & ! OLI - 024 1 , 1 , 1 , 1 , 1 , 1 , & ! DIEN - 025 1 , 1 , 1 , 1 , 1 , 1 , & ! ISO - 026 1 , 1 , 1 , 1 , 1 , 1 , & ! API - 027 1 , 1 , 1 , 1 , 1 , 1 , & ! LIM - 028 1 , 1 , 1 , 1 , 1 , 1 , & ! TOL - 029 1 , 1 , 1 , 1 , 1 , 1 , & ! XYL - 030 1 , 1 , 1 , 1 , 1 , 1 , & ! CSL - 031 1 , 1 , 1 , 1 , 1 , 1 , & ! HCHO - 032 1 , 1 , 1 , 1 , 1 , 1 , & ! ALD - 033 1 , 1 , 1 , 1 , 1 , 1 , & ! KET - 034 0 , 1 , 1 , 1 , 0 , 1 , & ! GLY - 035 0 , 1 , 1 , 1 , 0 , 1 , & ! MGLY - 036 0 , 1 , 1 , 1 , 0 , 1 , & ! DCB - 037 0 , 1 , 1 , 1 , 1 , 1 , & ! MACR - 038 0 , 1 , 1 , 0 , 0 , 1 , & ! UDD - 039 0 , 1 , 1 , 0 , 0 , 1 , & ! HKET - 040 0 , 1 , 1 , 0 , 0 , 1 , & ! ONIT - 041 0 , 1 , 1 , 0 , 0 , 1 , & ! PAN - 042 0 , 1 , 1 , 0 , 0 , 1 , & ! TPAN - 043 0 , 1 , 1 , 0 , 0 , 1 , & ! OP1 - 044 0 , 1 , 1 , 0 , 0 , 1 , & ! OP2 - 045 0 , 1 , 1 , 0 , 0 , 1 , & ! PAA - 046 1 , 1 , 1 , 0 , 1 , 1 , & ! ORA1 - 047 1 , 1 , 1 , 0 , 1 , 1 , & ! ORA2 - 048 0 , 0 , 0 , 0 , 0 , 0 , & ! MO2 - 049 0 , 0 , 0 , 0 , 0 , 0 , & ! ETHP - 050 0 , 0 , 0 , 0 , 0 , 0 , & ! HC3P - 051 0 , 0 , 0 , 0 , 0 , 0 , & ! HC5P - 052 0 , 0 , 0 , 0 , 0 , 0 , & ! HC8P - 053 0 , 0 , 0 , 0 , 0 , 0 , & ! ETEP - 054 0 , 0 , 0 , 0 , 0 , 0 , & ! OLTP - 055 0 , 0 , 0 , 0 , 0 , 0 , & ! OLIP - 056 0 , 0 , 0 , 0 , 0 , 0 , & ! ISOP - 057 0 , 0 , 0 , 0 , 0 , 0 , & ! APIP - 058 0 , 0 , 0 , 0 , 0 , 0 , & ! LIMP - 059 0 , 0 , 0 , 0 , 0 , 0 , & ! PHO - 060 0 , 0 , 0 , 0 , 0 , 0 , & ! ADDT - 061 0 , 0 , 0 , 0 , 0 , 0 , & ! ADDX - 062 0 , 0 , 0 , 0 , 0 , 0 , & ! ADDC - 063 0 , 0 , 0 , 0 , 0 , 0 , & ! TOLP - 064 0 , 0 , 0 , 0 , 0 , 0 , & ! XYLP - 065 0 , 0 , 0 , 0 , 0 , 0 , & ! CSLP - 066 0 , 1 , 1 , 0 , 0 , 1 , & ! ACO3 - 067 0 , 0 , 0 , 0 , 0 , 0 , & ! TCO3 - 068 0 , 0 , 0 , 0 , 0 , 0 , & ! KETP - 069 0 , 0 , 0 , 0 , 0 , 0 , & ! OLNN - 070 0 , 0 , 0 , 0 , 0 , 0 , & ! OLND - 071 0 , 0 , 0 , 0 , 0 , 0 & ! XO2 - 072 /),(/6,nspecies/)) INTEGER,PARAMETER,DIMENSION(nspecies) :: spc_uveq=(/ & 02, & !O3 07, & !H2O2 04, & !NO 09, & !NO2 10, & !NO3 11, & !N2O5 00, & !HONO 13, & !HNO3 14, & !HNO4 00, & !SO2 00, & !SULF 00, & !CO 00, & !O3P 00, & !O1D 00, & !HO 00, & !HO2 00, & !CH4 00, & !ETH 00, & !HC3 00, & !HC5 00, & !HC8 00, & !ETE 00, & !OLT 00, & !OLI 00, & !DIEN 00, & !ISO 00, & !API 00, & !LIM 00, & !TOL 00, & !XYL 00, & !CSL 00, & !HCHO 00, & !ALD 00, & !KET 00, & !GLY 00, & !MGLY 00, & !DCB 00, & !MACR 00, & !UDD 00, & !HKET 00, & !ONIT 49, & !PAN 00, & !TPAN 00, & !OP1 00, & !OP2 00, & !PAA 00, & !ORA1 00, & !ORA2 00, & !MO2 00, & !ETHP 00, & !HC3P 00, & !HC5P 00, & !HC8P 00, & !ETEP 00, & !OLTP 00, & !OLIP 00, & !ISOP 00, & !APIP 00, & !LIMP 00, & !PHO 00, & !ADDT 00, & !ADDX 00, & !ADDC 00, & !TOLP 00, & !XYLP 00, & !CSLP 00, & !ACO3 00, & !TCO3 00, & !KETP 00, & !OLNN 00, & !OLND 00 & !XO2 /) ! HENRYS LAW COEFFICIENTS ! Henrys law coefficient ! [KH298]=mole/(l atm) ! Referencias em http://www.mpch-mainz.mpg.de/~sander/res/henry.html ! * indica artigos nao encontrados nesse endereço 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 1.8E+00 , & ! NO3 - 005 1.0E+10 , & ! N2O5 - 006 5.00E+1 , & ! HONO - 007 2.10E+5 , & ! HNO3 - 008 1.20E+4 , & ! HNO4 - 009 1.40E+0 , & ! SO2 - 010 7.00E+1 , & ! SULF - 011 9.90E-4 , & ! CO - 012 0.00E+0 , & ! O3P - 013 0.00E+0 , & ! O1D - 014 3.00E+1 , & ! HO - 015 5.70E+3 , & ! HO2 - 016 1.40E-3 , & ! CH4 - 017 1.90E-3 , & ! ETH - 018 1.10E-3 , & ! HC3 - 019 1.00E-3 , & ! HC5 - 020 2.00E-3 , & ! HC8 - 021 4.70E-3 , & ! ETE - 022 8.50E-3 , & ! OLT - 023 4.40E-3 , & ! OLI - 024 1.40E-2 , & ! DIEN - 025 2.80E-2 , & ! ISO - 026 4.90E-2 , & ! API - 027 1.13E-2 , & ! LIM - 028 1.50E-1 , & ! TOL - 029 1.50E-1 , & ! XYL - 030 8.20E+2 , & ! CSL - 031 3.20E+3 , & ! HCHO - 032 1.40E+1 , & ! ALD - 033 2.50E+1 , & ! KET - 034 3.60E+5 , & ! GLY - 035 3.20E+4 , & ! MGLY - 036 1.40E+6 , & ! DCB - 037 6.50E+0 , & ! MACR - 038 0.00E+0 , & ! UDD - 039 0.00E+0 , & ! HKET - 040 1.00E+0 , & ! ONIT - 041 3.50E+0 , & ! PAN - 042 1.70E+0 , & ! TPAN - 043 3.10E+2 , & ! OP1 - 044 3.40E+2 , & ! OP2 - 045 8.40E+2 , & ! PAA - 046 5.40E+3 , & ! ORA1 - 047 5.50E+3 , & ! ORA2 - 048 2.00E+3 , & ! MO2 - 049 0.0E+00 , & ! ETHP - 050 0.0E+00 , & ! HC3P - 051 0.0E+00 , & ! HC5P - 052 0.0E+00 , & ! HC8P - 053 0.0E+00 , & ! ETEP - 054 0.0E+00 , & ! OLTP - 055 0.0E+00 , & ! OLIP - 056 0.0E+00 , & ! ISOP - 057 0.0E+00 , & ! APIP - 058 0.0E+00 , & ! LIMP - 059 0.0E+00 , & ! PHO - 060 0.0E+00 , & ! ADDT - 061 0.0E+00 , & ! ADDX - 062 0.0E+00 , & ! ADDC - 063 0.0E+00 , & ! TOLP - 064 0.0E+00 , & ! XYLP - 065 0.0E+00 , & ! CSLP - 066 1.14E+1 , & ! ACO3 - 067 0.0E+00 , & ! TCO3 - 068 0.0E+00 , & ! KETP - 069 0.0E+00 , & ! OLNN - 070 0.0E+00 , & ! OLND - 071 0.0E+00 & ! XO2 - 072 /) ! [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 , & ! O3P - 013 0.0 , & ! O1D - 014 0.0 , & ! HO - 015 0.0 , & ! HO2 - 016 0.0 , & ! CH4 - 017 0.0 , & ! ETH - 018 0.0 , & ! HC3 - 019 0.0 , & ! HC5 - 020 0.0 , & ! HC8 - 021 0.0 , & ! ETE - 022 0.0 , & ! OLT - 023 0.0 , & ! OLI - 024 0.0 , & ! DIEN - 025 0.0 , & ! ISO - 026 0.0 , & ! API - 027 0.0 , & ! LIM - 028 0.0 , & ! TOL - 029 0.0 , & ! XYL - 030 0.0 , & ! CSL - 031 0.0 , & ! HCHO - 032 0.0 , & ! ALD - 033 0.0 , & ! KET - 034 0.0 , & ! GLY - 035 0.0 , & ! MGLY - 036 0.0 , & ! DCB - 037 0.0 , & ! MACR - 038 0.0 , & ! UDD - 039 0.0 , & ! HKET - 040 0.0 , & ! ONIT - 041 0.1 , & ! PAN - 042 0.0 , & ! TPAN - 043 0.1 , & ! OP1 - 044 0.1 , & ! OP2 - 045 0.1 , & ! PAA - 046 0.0 , & ! ORA1 - 047 0.0 , & ! ORA2 - 048 0.0 , & ! MO2 - 049 0.0 , & ! ETHP - 050 0.0 , & ! HC3P - 051 0.0 , & ! HC5P - 052 0.0 , & ! HC8P - 053 0.0 , & ! ETEP - 054 0.0 , & ! OLTP - 055 0.0 , & ! OLIP - 056 0.0 , & ! ISOP - 057 0.0 , & ! APIP - 058 0.0 , & ! LIMP - 059 0.0 , & ! PHO - 060 0.0 , & ! ADDT - 061 0.0 , & ! ADDX - 062 0.0 , & ! ADDC - 063 0.0 , & ! TOLP - 064 0.0 , & ! XYLP - 065 0.0 , & ! CSLP - 066 0.0 , & ! ACO3 - 067 0.0 , & ! TCO3 - 068 0.0 , & ! KETP - 069 0.0 , & ! OLNN - 070 0.0 , & ! OLND - 071 0.0 & ! XO2 - 072 /) REAL,PARAMETER,DIMENSION(nspecies) :: difrat=(/& 1.6 , & ! O3 - 001 1.4 , & ! H2O2 - 002 1.3 , & ! NO - 003 1.6 , & ! NO2 - 004 0.0 , & ! NO3 - 005 0.0 , & ! N2O5 - 006 0.0 , & ! HONO - 007 1.9 , & ! HNO3 - 008 0.0 , & ! HNO4 - 009 1.9 , & ! SO2 - 010 0.0 , & ! SULF - 011 0.0 , & ! CO - 012 0.0 , & ! O3P - 013 0.0 , & ! O1D - 014 0.0 , & ! HO - 015 0.0 , & ! HO2 - 016 0.0 , & ! CH4 - 017 0.0 , & ! ETH - 018 0.0 , & ! HC3 - 019 0.0 , & ! HC5 - 020 0.0 , & ! HC8 - 021 0.0 , & ! ETE - 022 0.0 , & ! OLT - 023 0.0 , & ! OLI - 024 0.0 , & ! DIEN - 025 0.0 , & ! ISO - 026 0.0 , & ! API - 027 0.0 , & ! LIM - 028 0.0 , & ! TOL - 029 0.0 , & ! XYL - 030 0.0 , & ! CSL - 031 1.3 , & ! HCHO - 032 1.6 , & ! ALD - 033 0.0 , & ! KET - 034 0.0 , & ! GLY - 035 0.0 , & ! MGLY - 036 0.0 , & ! DCB - 037 0.0 , & ! MACR - 038 0.0 , & ! UDD - 039 0.0 , & ! HKET - 040 0.0 , & ! ONIT - 041 2.6 , & ! PAN - 042 0.0 , & ! TPAN - 043 1.6 , & ! OP1 - 044 1.6 , & ! OP2 - 045 2.0 , & ! PAA - 046 1.6 , & ! ORA1 - 047 1.6 , & ! ORA2 - 048 0.0 , & ! MO2 - 049 0.0 , & ! ETHP - 050 0.0 , & ! HC3P - 051 0.0 , & ! HC5P - 052 0.0 , & ! HC8P - 053 0.0 , & ! ETEP - 054 0.0 , & ! OLTP - 055 0.0 , & ! OLIP - 056 0.0 , & ! ISOP - 057 0.0 , & ! APIP - 058 0.0 , & ! LIMP - 059 0.0 , & ! PHO - 060 0.0 , & ! ADDT - 061 0.0 , & ! ADDX - 062 0.0 , & ! ADDC - 063 0.0 , & ! TOLP - 064 0.0 , & ! XYLP - 065 0.0 , & ! CSLP - 066 0.0 , & ! ACO3 - 067 0.0 , & ! TCO3 - 068 0.0 , & ! KETP - 069 0.0 , & ! OLNN - 070 0.0 , & ! OLND - 071 0.0 & ! XO2 - 072 /) ! DIFFUSION COEFFICIENTS ! [DV]=cm2/s (assumed: 1/SQRT(molar mass) when not known) REAL,PARAMETER,DIMENSION(nspecies) :: dvj=(/& 0.1750000 , & ! O3 - 001 0.1710000 , & ! H2O2 - 002 0.1830000 , & ! NO - 003 0.1470000 , & ! NO2 - 004 0.1270000 , & ! NO3 - 005 0.1100000 , & ! N2O5 - 006 0.1530000 , & ! HONO - 007 0.1260000 , & ! HNO3 - 008 0.1130000 , & ! HNO4 - 009 0.1260000 , & ! SO2 - 010 0.1010153 , & ! SULF - 011 0.1890000 , & ! CO - 012 0.2500000 , & ! O3P - 013 0.2500000 , & ! O1D - 014 0.2430000 , & ! HO - 015 0.1740000 , & ! HO2 - 016 0.2500000 , & ! CH4 - 017 0.1830000 , & ! ETH - 018 0.1510000 , & ! HC3 - 019 0.1180000 , & ! HC5 - 020 9.3999997E-02 , & ! HC8 - 021 0.1889822 , & ! ETE - 022 0.1540000 , & ! OLT - 023 0.1210000 , & ! OLI - 024 0.1360828 , & ! DIEN - 025 0.1210000 , & ! ISO - 026 8.5749298E-02 , & ! API - 027 8.5749298E-02 , & ! LIM - 028 0.1040000 , & ! TOL - 029 9.7000003E-02 , & ! XYL - 030 9.6000001E-02 , & ! CSL - 031 0.1830000 , & ! HCHO - 032 0.1510000 , & ! ALD - 033 0.1180000 , & ! KET - 034 0.1310000 , & ! GLY - 035 0.1180000 , & ! MGLY - 036 0.1070000 , & ! DCB - 037 0.1195229 , & ! MACR - 038 9.1669850E-02 , & ! UDD - 039 0.1162476 , & ! HKET - 040 9.2000000E-02 , & ! ONIT - 041 9.0999998E-02 , & ! PAN - 042 8.2000002E-02 , & ! TPAN - 043 0.1440000 , & ! OP1 - 044 0.1270000 , & ! OP2 - 045 0.1150000 , & ! PAA - 046 0.1530000 , & ! ORA1 - 047 0.1240000 , & ! ORA2 - 048 0.1458650 , & ! MO2 - 049 0.1280369 , & ! ETHP - 050 0.1154700 , & ! HC3P - 051 9.8532930E-02 , & ! HC5P - 052 8.3045483E-02 , & ! HC8P - 053 0.1139606 , & ! ETEP - 054 0.1048285 , & ! OLTP - 055 9.2450030E-02 , & ! OLIP - 056 9.2450030E-02 , & ! ISOP - 057 7.3521458E-02 , & ! APIP - 058 7.3521458E-02 , & ! LIMP - 059 9.6673653E-02 , & ! PHO - 060 9.5782630E-02 , & ! ADDT - 061 9.0166964E-02 , & ! ADDX - 062 8.9442722E-02 , & ! ADDC - 063 8.4215194E-02 , & ! TOLP - 064 8.0321930E-02 , & ! XYLP - 065 7.9808690E-02 , & ! CSLP - 066 0.1150000 , & ! ACO3 - 067 9.3250483E-02 , & ! TCO3 - 068 9.8532930E-02 , & ! KETP - 069 8.5749298E-02 , & ! OLNN - 070 8.5749298E-02 , & ! OLND - 071 0.1507557 & ! XO2 - 072 /) ! -DH/R (for temperature correction) ! [-DH/R]=K 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 0. , & ! O3P - 013 0. , & ! O1D - 014 4500. , & ! HO - 015 5900. , & ! HO2 - 016 1600. , & ! CH4 - 017 2300. , & ! ETH - 018 2800. , & ! HC3 - 019 7500. , & ! HC5 - 020 6250. , & ! HC8 - 021 1800. , & ! ETE - 022 4000. , & ! OLT - 023 4000. , & ! OLI - 024 4500. , & ! DIEN - 025 4500. , & ! ISO - 026 4500. , & ! API - 027 4500. , & ! LIM - 028 4000. , & ! TOL - 029 4000. , & ! XYL - 030 5800. , & ! CSL - 031 6800. , & ! HCHO - 032 5600. , & ! ALD - 033 4800. , & ! KET - 034 7500. , & ! GLY - 035 7500. , & ! MGLY - 036 0. , & ! DCB - 037 5300. , & ! MACR - 038 0. , & ! UDD - 039 0. , & ! HKET - 040 5800. , & ! ONIT - 041 6500. , & ! PAN - 042 6500. , & ! TPAN - 043 5200. , & ! OP1 - 044 6000. , & ! OP2 - 045 5300. , & ! PAA - 046 5700. , & ! ORA1 - 047 6300. , & ! ORA2 - 048 6600. , & ! MO2 - 049 0. , & ! ETHP - 050 0. , & ! HC3P - 051 0. , & ! HC5P - 052 0. , & ! HC8P - 053 0. , & ! ETEP - 054 0. , & ! OLTP - 055 0. , & ! OLIP - 056 0. , & ! ISOP - 057 0. , & ! APIP - 058 0. , & ! LIMP - 059 0. , & ! PHO - 060 0. , & ! ADDT - 061 0. , & ! ADDX - 062 0. , & ! ADDC - 063 0. , & ! TOLP - 064 0. , & ! XYLP - 065 0. , & ! CSLP - 066 6266. , & ! ACO3 - 067 0. , & ! TCO3 - 068 0. , & ! KETP - 069 0. , & ! OLNN - 070 0. , & ! OLND - 071 0. & ! XO2 - 072 /) 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 16. , & ! O3P - 013 16. , & ! O1D - 014 17. , & ! HO - 015 33. , & ! HO2 - 016 16. , & ! CH4 - 017 30. , & ! ETH - 018 44. , & ! HC3 - 019 72. , & ! HC5 - 020 114. , & ! HC8 - 021 28. , & ! ETE - 022 42. , & ! OLT - 023 68. , & ! OLI - 024 54. , & ! DIEN - 025 68. , & ! ISO - 026 136. , & ! API - 027 136. , & ! LIM - 028 92. , & ! TOL - 029 106. , & ! XYL - 030 108. , & ! CSL - 031 30. , & ! HCHO - 032 44. , & ! ALD - 033 72. , & ! KET - 034 58. , & ! GLY - 035 72. , & ! MGLY - 036 87. , & ! DCB - 037 70. , & ! MACR - 038 119. , & ! UDD - 039 74. , & ! HKET - 040 119. , & ! ONIT - 041 121. , & ! PAN - 042 147. , & ! TPAN - 043 48. , & ! OP1 - 044 62. , & ! OP2 - 045 76. , & ! PAA - 046 46. , & ! ORA1 - 047 60. , & ! ORA2 - 048 47. , & ! MO2 - 049 61. , & ! ETHP - 050 75. , & ! HC3P - 051 103. , & ! HC5P - 052 145. , & ! HC8P - 053 77. , & ! ETEP - 054 91. , & ! OLTP - 055 117. , & ! OLIP - 056 117. , & ! ISOP - 057 185. , & ! APIP - 058 185. , & ! LIMP - 059 107. , & ! PHO - 060 109. , & ! ADDT - 061 123. , & ! ADDX - 062 125. , & ! ADDC - 063 141. , & ! TOLP - 064 155. , & ! XYLP - 065 157. , & ! CSLP - 066 75. , & ! ACO3 - 067 115. , & ! TCO3 - 068 103. , & ! KETP - 069 136. , & ! OLNN - 070 136. , & ! OLND - 071 44. & ! XO2 - 072 /) 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 , & ! O3P - 013 1.0 , & ! O1D - 014 1.0 , & ! HO - 015 1.0 , & ! HO2 - 016 1.0 , & ! CH4 - 017 1.0 , & ! ETH - 018 1.0 , & ! HC3 - 019 1.0 , & ! HC5 - 020 1.0 , & ! HC8 - 021 1.0 , & ! ETE - 022 1.0 , & ! OLT - 023 1.0 , & ! OLI - 024 1.0 , & ! DIEN - 025 1.0 , & ! ISO - 026 1.0 , & ! API - 027 1.0 , & ! LIM - 028 1.0 , & ! TOL - 029 1.0 , & ! XYL - 030 1.0 , & ! CSL - 031 1.0 , & ! HCHO - 032 1.0 , & ! ALD - 033 1.0 , & ! KET - 034 1.0 , & ! GLY - 035 1.0 , & ! MGLY - 036 1.0 , & ! DCB - 037 1.0 , & ! MACR - 038 1.0 , & ! UDD - 039 1.0 , & ! HKET - 040 1.0 , & ! ONIT - 041 1.0 , & ! PAN - 042 1.0 , & ! TPAN - 043 1.0 , & ! OP1 - 044 1.0 , & ! OP2 - 045 1.0 , & ! PAA - 046 1.0 , & ! ORA1 - 047 1.0 , & ! ORA2 - 048 1.0 , & ! MO2 - 049 1.0 , & ! ETHP - 050 1.0 , & ! HC3P - 051 1.0 , & ! HC5P - 052 1.0 , & ! HC8P - 053 1.0 , & ! ETEP - 054 1.0 , & ! OLTP - 055 1.0 , & ! OLIP - 056 1.0 , & ! ISOP - 057 1.0 , & ! APIP - 058 1.0 , & ! LIMP - 059 1.0 , & ! PHO - 060 1.0 , & ! ADDT - 061 1.0 , & ! ADDX - 062 1.0 , & ! ADDC - 063 1.0 , & ! TOLP - 064 1.0 , & ! XYLP - 065 1.0 , & ! CSLP - 066 1.0 , & ! ACO3 - 067 1.0 , & ! TCO3 - 068 1.0 , & ! KETP - 069 1.0 , & ! OLNN - 070 1.0 , & ! OLND - 071 1.0 & ! XO2 - 072 /) 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 , & ! O3P - 013 1.0 , & ! O1D - 014 1.0 , & ! HO - 015 1.0 , & ! HO2 - 016 1.0 , & ! CH4 - 017 1.0 , & ! ETH - 018 1.0 , & ! HC3 - 019 1.0 , & ! HC5 - 020 1.0 , & ! HC8 - 021 1.0 , & ! ETE - 022 1.0 , & ! OLT - 023 1.0 , & ! OLI - 024 1.0 , & ! DIEN - 025 1.0 , & ! ISO - 026 1.0 , & ! API - 027 1.0 , & ! LIM - 028 1.0 , & ! TOL - 029 1.0 , & ! XYL - 030 1.0 , & ! CSL - 031 1.0 , & ! HCHO - 032 1.0 , & ! ALD - 033 1.0 , & ! KET - 034 1.0 , & ! GLY - 035 1.0 , & ! MGLY - 036 1.0 , & ! DCB - 037 1.0 , & ! MACR - 038 1.0 , & ! UDD - 039 1.0 , & ! HKET - 040 1.0 , & ! ONIT - 041 1.0 , & ! PAN - 042 1.0 , & ! TPAN - 043 1.0 , & ! OP1 - 044 1.0 , & ! OP2 - 045 1.0 , & ! PAA - 046 1.0 , & ! ORA1 - 047 1.0 , & ! ORA2 - 048 1.0 , & ! MO2 - 049 1.0 , & ! ETHP - 050 1.0 , & ! HC3P - 051 1.0 , & ! HC5P - 052 1.0 , & ! HC8P - 053 1.0 , & ! ETEP - 054 1.0 , & ! OLTP - 055 1.0 , & ! OLIP - 056 1.0 , & ! ISOP - 057 1.0 , & ! APIP - 058 1.0 , & ! LIMP - 059 1.0 , & ! PHO - 060 1.0 , & ! ADDT - 061 1.0 , & ! ADDX - 062 1.0 , & ! ADDC - 063 1.0 , & ! TOLP - 064 1.0 , & ! XYLP - 065 1.0 , & ! CSLP - 066 1.0 , & ! ACO3 - 067 1.0 , & ! TCO3 - 068 1.0 , & ! KETP - 069 1.0 , & ! OLNN - 070 1.0 , & ! OLND - 071 1.0 & ! XO2 - 072 /) ! 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 0.00E+00 , & ! O3P - 013 0.00E+00 , & ! O1D - 014 0.00E+00 , & ! HO - 015 3.50E-05 , & ! HO2 - 016 0.00E+00 , & ! CH4 - 017 0.00E+00 , & ! ETH - 018 0.00E+00 , & ! HC3 - 019 0.00E+00 , & ! HC5 - 020 0.00E+00 , & ! HC8 - 021 0.00E+00 , & ! ETE - 022 0.00E+00 , & ! OLT - 023 0.00E+00 , & ! OLI - 024 0.00E+00 , & ! DIEN - 025 0.00E+00 , & ! ISO - 026 0.00E+00 , & ! API - 027 0.00E+00 , & ! LIM - 028 0.00E+00 , & ! TOL - 029 0.00E+00 , & ! XYL - 030 1.50E-10 , & ! CSL - 031 0.00E+00 , & ! HCHO - 032 0.00E+00 , & ! ALD - 033 0.00E+00 , & ! KET - 034 0.00E+00 , & ! GLY - 035 0.00E+00 , & ! MGLY - 036 0.00E+00 , & ! DCB - 037 0.00E+00 , & ! MACR - 038 0.00E+00 , & ! UDD - 039 0.00E+00 , & ! HKET - 040 0.00E+00 , & ! ONIT - 041 0.00E+00 , & ! PAN - 042 0.00E+00 , & ! TPAN - 043 0.00E+00 , & ! OP1 - 044 0.00E+00 , & ! OP2 - 045 0.00E+00 , & ! PAA - 046 1.80E-04 , & ! ORA1 - 047 1.75E-05 , & ! ORA2 - 048 0.00E+00 , & ! MO2 - 049 0.00E+00 , & ! ETHP - 050 0.00E+00 , & ! HC3P - 051 0.00E+00 , & ! HC5P - 052 0.00E+00 , & ! HC8P - 053 0.00E+00 , & ! ETEP - 054 0.00E+00 , & ! OLTP - 055 0.00E+00 , & ! OLIP - 056 0.00E+00 , & ! ISOP - 057 0.00E+00 , & ! APIP - 058 0.00E+00 , & ! LIMP - 059 0.00E+00 , & ! PHO - 060 0.00E+00 , & ! ADDT - 061 0.00E+00 , & ! ADDX - 062 0.00E+00 , & ! ADDC - 063 0.00E+00 , & ! TOLP - 064 0.00E+00 , & ! XYLP - 065 0.00E+00 , & ! CSLP - 066 0.00E+00 , & ! ACO3 - 067 0.00E+00 , & ! TCO3 - 068 0.00E+00 , & ! KETP - 069 0.00E+00 , & ! OLNN - 070 0.00E+00 , & ! OLND - 071 0.00E+00 & ! XO2 - 072 /) ! 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 0. , & ! O3P - 013 0. , & ! O1D - 014 0. , & ! HO - 015 0. , & ! HO2 - 016 0. , & ! CH4 - 017 0. , & ! ETH - 018 0. , & ! HC3 - 019 0. , & ! HC5 - 020 0. , & ! HC8 - 021 0. , & ! ETE - 022 0. , & ! OLT - 023 0. , & ! OLI - 024 0. , & ! DIEN - 025 0. , & ! ISO - 026 0. , & ! API - 027 0. , & ! LIM - 028 0. , & ! TOL - 029 0. , & ! XYL - 030 0. , & ! CSL - 031 0. , & ! HCHO - 032 0. , & ! ALD - 033 0. , & ! KET - 034 0. , & ! GLY - 035 0. , & ! MGLY - 036 0. , & ! DCB - 037 0. , & ! MACR - 038 0. , & ! UDD - 039 0. , & ! HKET - 040 0. , & ! ONIT - 041 0. , & ! PAN - 042 0. , & ! TPAN - 043 0. , & ! OP1 - 044 0. , & ! OP2 - 045 0. , & ! PAA - 046 -1500. , & ! ORA1 - 047 0. , & ! ORA2 - 048 0. , & ! MO2 - 049 0. , & ! ETHP - 050 0. , & ! HC3P - 051 0. , & ! HC5P - 052 0. , & ! HC8P - 053 0. , & ! ETEP - 054 0. , & ! OLTP - 055 0. , & ! OLIP - 056 0. , & ! ISOP - 057 0. , & ! APIP - 058 0. , & ! LIMP - 059 0. , & ! PHO - 060 0. , & ! ADDT - 061 0. , & ! ADDX - 062 0. , & ! ADDC - 063 0. , & ! TOLP - 064 0. , & ! XYLP - 065 0. , & ! CSLP - 066 0. , & ! ACO3 - 067 0. , & ! TCO3 - 068 0. , & ! KETP - 069 0. , & ! OLNN - 070 0. , & ! OLND - 071 0. & ! XO2 - 072 /) INTEGER,PARAMETER :: nr =237!Number of gas-phase reactions INTEGER,PARAMETER :: nrt =237!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= 'FAST-TUV' INTEGER,PARAMETER :: maxJcomb= 5, nr_photo= 23 INTEGER,PARAMETER,DIMENSION(nr_photo) :: nfactors=(/ & 1, &! 1 1, &! 2 1, &! 3 1, &! 4 1, &! 5 1, &! 6 1, &! 7 1, &! 8 1, &! 9 1, &! 10 1, &! 11 1, &! 12 1, &! 13 1, &! 14 1, &! 15 3, &! 16 1, &! 17 1, &! 18 1, &! 19 2, &! 20 2, &! 21 1, &! 22 3/)! 23 DOUBLE PRECISION,PARAMETER,DIMENSION(maxJcomb,nr_photo) :: factor=RESHAPE((/ & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+00, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.900D+00, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.280D+00, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.500D+00, 0.500D+00, 0.500D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+00, 0.285D-02, 0.000D+00, 0.000D+00, 0.000D+00, & 0.200D+00, 0.800D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.100D+01, 0.000D+00, 0.000D+00, 0.000D+00, 0.000D+00, & 0.500D+00, 0.500D+00, 0.500D+00, 0.000D+00, 0.000D+00/),(/maxJcomb,nr_photo/)) CHARACTER(LEN=07 ),PARAMETER,DIMENSION(maxJcomb,nr_photo) :: JReactionComp=RESHAPE((/ & "NO2 ","NONE ","NONE ","NONE ","NONE ", & "O3(1D) ","NONE ","NONE ","NONE ","NONE ", & "O3 ","NONE ","NONE ","NONE ","NONE ", & "HNO2 ","NONE ","NONE ","NONE ","NONE ", & "HNO3 ","NONE ","NONE ","NONE ","NONE ", & "HNO4 ","NONE ","NONE ","NONE ","NONE ", & "NO3 ","NONE ","NONE ","NONE ","NONE ", & "NO3 ","NONE ","NONE ","NONE ","NONE ", & "H2O2 ","NONE ","NONE ","NONE ","NONE ", & "H2COb ","NONE ","NONE ","NONE ","NONE ", & "H2COa ","NONE ","NONE ","NONE ","NONE ", & "ActAld ","NONE ","NONE ","NONE ","NONE ", & "CH3OOH ","NONE ","NONE ","NONE ","NONE ", & "CH3OOH ","NONE ","NONE ","NONE ","NONE ", & "H2O2 ","NONE ","NONE ","NONE ","NONE ", & "Acet-a ","Acet-b ","MEKeto ","NONE ","NONE ", & "Glyxlb ","NONE ","NONE ","NONE ","NONE ", & "Glyxla ","NONE ","NONE ","NONE ","NONE ", & "MGlyxl ","NONE ","NONE ","NONE ","NONE ", & "NO2 ","NO2 ","NONE ","NONE ","NONE ", & "n-pn ","i-pn ","NONE ","NONE ","NONE ", & "MeAcr ","NONE ","NONE ","NONE ","NONE ", & "Acet-a ","Acet-b ","MEKeto ","NONE ","NONE "/),(/maxJcomb,nr_photo/)) END MODULE chem1_list