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AQ_DATA.F
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!------------------------------------------------------------------------!
! The Community Multiscale Air Quality (CMAQ) system software is in !
! continuous development by various groups and is based on information !
! from these groups: Federal Government employees, contractors working !
! within a United States Government contract, and non-Federal sources !
! including research institutions. These groups give the Government !
! permission to use, prepare derivative works of, and distribute copies !
! of their work in the CMAQ system to the public and to permit others !
! to do so. The United States Environmental Protection Agency !
! therefore grants similar permission to use the CMAQ system software, !
! but users are requested to provide copies of derivative works or !
! products designed to operate in the CMAQ system to the United States !
! Government without restrictions as to use by others. Software !
! that is used with the CMAQ system but distributed under the GNU !
! General Public License or the GNU Lesser General Public License is !
! subject to their copyright restrictions. !
!------------------------------------------------------------------------!
C:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
Module aq_data
C Defines gas and aerosol surrogate data.
C this module replace the AQ_PARAMS.EXT include file
C
C Revision History:
C First version was coded in May 2010 by Steve Howard with
C Prakash Bhave, Jeff Young, and Sergey Napelenok.
C Feb 2011: Steve Howard, Shawn Roselle, Prakash Bhave, Bill Hutzell -
C Mar 2011: Sergey Napelenok - AE6 update for Ca/Mg/K/Fe/Mn
C indexing, density, variable names
C Mar 2011: Shawn Roselle, replaced I/O API include files with UTILIO_DEFN
C Sep 2011: B.Hutzell: adapted for mercury and HAP mechanisms
C Jun 2012: J.Young: remove full character blank padding for GNU Fortran (GCC) 4.1.2
C Oct 2014: B.Hutzell:forcing to skip mapping if aerosol species
C index equals the values for H3OP species as for aerosol water
C species
C-----------------------------------------------------------------------
Use aero_data, Only: n_aerolist, n_aerospc, conmin
Use runtime_vars
Implicit None
Integer, Parameter :: ngas = 15 ! number of gas-phase species for AQCHEM
! Integer, Parameter :: naddaer = 7 ! number of additional aerosol surrogate species for AQCHEM
Integer, Parameter :: naddaer = 2 ! number of additional aerosol surrogate species for AQCHEM
Integer, Parameter :: nadd_tx = 6 ! number of surrogates for HAPS aerosol species for AQCHEM
Integer, Parameter :: max_naer = n_aerolist + naddaer + nadd_tx ! max number aero surrogates
Integer, Save :: naer ! number of aerosol surrogate species for AQCHEM
Integer, Parameter :: nliqs = 60 ! number of liquid-phase species in AQCHEM
Integer, Parameter :: nmodes = 3 ! number of aerosol modes
Integer, Parameter :: mxsrg = 70 ! maximum number of species for surrogate
integer, parameter :: akn = 1 ! number for Aitken mode
Integer, Parameter :: acc = 2 ! number for Accumulation mode
Integer, Parameter :: cor = 3 ! number for Coarse mode
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
C...Gas surrogates species
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Type sur_gas_type
Character( 16 ) :: name ! surrogate name
Real :: backgnd ! background value
End Type sur_gas_type
Type ( sur_gas_type ), Parameter :: srggas( ngas ) = (/
C Name Background
C ---------- ----------
& sur_gas_type( 'SO2 ', 0.0 ),
& sur_gas_type( 'HNO3 ', 0.0 ),
& sur_gas_type( 'N2O5 ', 0.0 ),
& sur_gas_type( 'CO2 ', 340.0 ),
& sur_gas_type( 'NH3 ', 0.0 ),
& sur_gas_type( 'H2O2 ', 0.0 ),
& sur_gas_type( 'O3 ', 0.0 ),
& sur_gas_type( 'FOA ', 0.0 ),
& sur_gas_type( 'MHP ', 0.0 ),
& sur_gas_type( 'PAA ', 0.0 ),
& sur_gas_type( 'H2SO4 ', 0.0 ),
& sur_gas_type( 'HCL ', 0.0 ),
& sur_gas_type( 'GLY ', 0.0 ),
& sur_gas_type( 'MGLY ', 0.0 ),
& sur_gas_type( 'HO ', 0.0 ) / )
C...Required gas species
Character( 16 ), Parameter, Private :: req_so2 = 'SO2'
Character( 16 ), Parameter, Private :: req_hno3 = 'HNO3'
Character( 16 ), Parameter, Private :: req_n2o5 = 'N2O5'
Character( 16 ), Parameter, Private :: req_co2 = 'CO2'
Character( 16 ), Parameter, Private :: req_nh3 = 'NH3'
Character( 16 ), Parameter, Private :: req_h2o2 = 'H2O2'
Character( 16 ), Parameter, Private :: req_o3 = 'O3'
Character( 16 ), Parameter, Private :: req_foa = 'FOA'
Character( 16 ), Parameter, Private :: req_mhp = 'MHP'
Character( 16 ), Parameter, Private :: req_paa = 'PAA'
Character( 16 ), Parameter, Private :: req_h2so4 = 'H2SO4'
Character( 16 ), Parameter, Private :: req_hcl = 'HCL'
Character( 16 ), Parameter, Private :: req_gly = 'GLY'
Character( 16 ), Parameter, Private :: req_mgly = 'MGLY'
Character( 16 ), Parameter, Private :: req_ho = 'HO'
C...Pointers for the AQCHEM array GAS
Integer :: lso2 ! Sulfur Dioxide
Integer :: lhno3 ! Nitric Acid
Integer :: ln2o5 ! Dinitrogen Pentoxide
Integer :: lco2 ! Carbon Dioxide
Integer :: lnh3 ! Ammonia
Integer :: lh2o2 ! Hydrogen Peroxide
Integer :: lo3 ! Ozone
Integer :: lfoa ! Formic Acid
Integer :: lmhp ! Methyl Hydrogen Peroxide
Integer :: lpaa ! Peroxyacetic Acid
Integer :: lh2so4 ! Sulfuric Acid
Integer :: lhcl ! Hydrogen Chloride
Integer :: lgly ! Glyoxal
Integer :: lmgly ! Methylglyoxal
Integer :: lho ! OH, hydroxyl radical
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
C...Aerosol surrogates species
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Type sur_aer_type
Character( 16 ) :: name( nmodes ) ! surrogate name
Real :: backgnd ! background value
Real :: molwt ! molecular weight
Real :: density ! density [kg m-3]
End Type sur_aer_type
Type ( sur_aer_type ), Allocatable, Save :: srgaer( : )
C... Additional Aerosol surrogate species to add to aerosol list
Type ( sur_aer_type ), private :: addsrgaer( naddaer ) = (/
C Aitken Accum Coarse Background MolWt Density
C ------------- ------------- ------------- ---------- ----- ------
! & sur_aer_type((/' ', ' ', 'CACO3 '/), 0.0, 100.1, 2200.0),
! & sur_aer_type((/' ', ' ', 'MGCO3 '/), 0.0, 84.3, 2200.0),
! & sur_aer_type((/' ', ' ', 'A3FE '/), 0.0, 55.8, 2000.0),
! & sur_aer_type((/' ', ' ', 'B2MN '/), 0.0, 54.9, 2000.0),
! & sur_aer_type((/' ', ' ', 'K '/), 0.0, 39.1, 2200.0),
& sur_aer_type((/'NUM_AITKEN ', 'NUM_ACCUM ', 'NUM_COARSE '/), 0.0, 0.0, 1.0),
& sur_aer_type((/'SRF_AITKEN ', 'SRF_ACCUM ', 'SRF_COARSE '/), 0.0, 0.0, 1.0)/)
C...TX species added to Aerosol surrogate if not found in AE namelist file
Type ( sur_aer_type ), private :: srgaer_addtx( nadd_tx ) = (/
C Aitken Accum Coarse Background MolWt Density
C ------------- ------------- ------------- ---------- ----- ------
& sur_aer_type((/'TRACER_AITKEN', ' ', ' '/), 0.0, 100.0, 2200.0),
& sur_aer_type((/' ', 'TRACER_ACCUM ', ' '/), 0.0, 100.0, 2200.0),
& sur_aer_type((/' ', ' ', 'TRACER_COARSE'/), 0.0, 100.0, 2200.0),
& sur_aer_type((/'PHG_AITKEN ', ' ', ' '/), 0.0, 200.5, 2200.0),
& sur_aer_type((/' ', 'PHG_ACCUM ', ' '/), 0.0, 200.5, 2200.0),
& sur_aer_type((/' ', ' ', 'PHG_COARSE '/), 0.0, 200.5, 2200.0)/)
C...Required aerosol species
Character( 16 ), Parameter, Private :: req_aso4 = 'SO4_ACCUM'
Character( 16 ), Parameter, Private :: req_anh4 = 'NH4_ACCUM'
Character( 16 ), Parameter, Private :: req_ano3 = 'NO3_ACCUM'
Character( 16 ), Parameter, Private :: req_asoa = 'SOA_ACCUM'
Character( 16 ), Parameter, Private :: req_aorgc = 'AORGC_ACCUM'
Character( 16 ), Parameter, Private :: req_apoa = 'POA_ACCUM'
Character( 16 ), Parameter, Private :: req_aec = 'EC_ACCUM'
Character( 16 ), Parameter, Private :: req_apri = 'PRI_ACCUM'
! Character( 16 ), Parameter, Private :: req_apric = 'PRI_COARSE' ! SLN 16March2011
Character( 16 ), Parameter, Private :: req_ana = 'NA_ACCUM'
Character( 16 ), Parameter, Private :: req_acl = 'CL_ACCUM'
Character( 16 ), Parameter, Private :: req_acaco3 = 'CACO3'
Character( 16 ), Parameter, Private :: req_amgco3 = 'MGCO3'
Character( 16 ), Parameter, Private :: req_aa3fe = 'A3FE'
Character( 16 ), Parameter, Private :: req_ab2mn = 'B2MN'
Character( 16 ), Parameter, Private :: req_ak = 'K'
Character( 16 ), Parameter, Private :: req_num = 'NUM_ACCUM'
Character( 16 ), Parameter, Private :: req_srf = 'SRF_ACCUM'
Character( 16 ), Parameter, Private :: req_caacc = 'CA_ACCUM' ! SLN 16March2011
Character( 16 ), Parameter, Private :: req_mgacc = 'MG_ACCUM' ! SLN 16March2011
Character( 16 ), Parameter, Private :: req_kacc = 'K_ACCUM' ! SLN 16March2011
Character( 16 ), Parameter, Private :: req_feacc = 'FE_ACCUM' ! SLN 22March2011
Character( 16 ), Parameter, Private :: req_mnacc = 'MN_ACCUM' ! SLN 22March2011
Character( 16 ), Parameter, Private :: req_soilc = 'SOIL_COARSE' ! SLN 16March2011
Character( 16 ), Parameter, Private :: req_anthc = 'ANTH_COARSE' ! SLN 16March2011
Character( 16 ), Parameter, Private :: req_seasc = 'SEAS_COARSE' ! SLN 16March2011
C...For TX version
Character( 16 ), Parameter, Private :: req_traceri = 'TRACER_AITKEN'
Character( 16 ), Parameter, Private :: req_tracerj = 'TRACER_ACCUM'
Character( 16 ), Parameter, Private :: req_tracerk = 'TRACER_COARSE'
Character( 16 ), Parameter, Private :: req_phgi = 'PHG_AITKEN'
Character( 16 ), Parameter, Private :: req_phgj = 'PHG_ACCUM'
Character( 16 ), Parameter, Private :: req_phgk = 'PHG_COARSE'
C...For Sulfur tracking
Character( 16 ), Parameter, Private :: req_aso4aqh2o2 = 'SO4_AQH2O2_ACCUM'
Character( 16 ), Parameter, Private :: req_aso4aqo3 = 'SO4_AQO3_ACCUM'
Character( 16 ), Parameter, Private :: req_aso4aqfemn = 'SO4_AQFEMN_ACCUM'
Character( 16 ), Parameter, Private :: req_aso4aqmhp = 'SO4_AQMHP_ACCUM'
Character( 16 ), Parameter, Private :: req_aso4aqpaa = 'SO4_AQPAA_ACCUM'
C...Pointers for the AQCHEM array AEROSOL
Integer :: lso4 ! Sulfate
Integer :: lnh4 ! Ammonium
Integer :: lno3 ! Nitrate
Integer :: lsoa ! SOA
Integer :: lorgc ! SOA (anthropogenic organic oligomers)
Integer :: lpoa ! Primary organic aerosol
Integer :: lec ! Elemental carbon
Integer :: lpri ! Primary aerosol (Aitken and Accumulation)
! Integer :: lpricor ! Primary aerosol (coarse)
Integer :: lna ! Sodium
Integer :: lcl ! Chloride ion
! Integer :: lcaco3 ! Calcium Carbonate aerosol (place holder)
! Integer :: lmgco3 ! Magnesium Carbonate aerosol (place holder)
! Integer :: la3fe ! Iron aerosol (place holder)
! Integer :: lb2mn ! Manganese aerosol (place holder)
! Integer :: lk ! Potassium aerosol (Cl- tracked separately) (place holder)
Integer :: lnum ! Number
Integer :: lsrf ! Surface area
C...TXHG aersosols
Integer :: ltracer_akn ! Tracer aerosols (Aitken)
Integer :: ltracer_acc ! Tracer aerosols (Accumulation)
Integer :: ltracer_cor ! Tracer aerosols (Coarse)
Integer :: lphg_akn ! Mercuric aerosols (Aitken and Accumulation)
Integer :: lphg_acc ! Mercuric aerosols (Aitken and Accumulation)
Integer :: lphg_cor ! Mercuric aerosols (Coarse)
C...Sulfur Tracking Model
Integer :: lso4aqh2o2 ! Sulfate from aq H2O2 rxn
Integer :: lso4aqo3 ! Sulfate from aq O3 rxn
Integer :: lso4aqfemn ! Sulfate from aq rxn catalyzed by FE&MN
Integer :: lso4aqmhp ! Sulfate from aq MHP rxn
Integer :: lso4aqpaa ! Sulfate from aq PAA rxn
Integer :: lcaacc ! Ca in Accumulation mode (AE6) SLN 16March2011
Integer :: lmgacc ! Mg in Accumulation mode (AE6) SLN 16March2011
Integer :: lkacc ! K in Accumulation mode (AE6) SLN 16March2011
Integer :: lfeacc ! Fe in Accumulation mode (AE6) SLN 22March2011
Integer :: lmnacc ! Mn in Accumulation mode (AE6) SLN 22March2011
Integer :: lsoilc ! SOIL in Coarse mode (AE6) SLN 16March2011
Integer :: lanthc ! CORS in Coarse mode (AE6) SLN 16March2011
Integer :: lseasc ! SEAS in Coarse mode (AE6) SLN 16March2011
C...Pointers for the AQCHEM arrays LIQUID and WETDEP
Integer, Parameter :: lacl = 01 ! Hydrogen ion
Integer, Parameter :: lnh4accl = 02 ! Ammonium(attributed to accum. mode)
Integer, Parameter :: lcacorl = 03 ! coarse mode Calcium
Integer, Parameter :: lnaaccl = 04 ! Sodium
Integer, Parameter :: lohl = 05 ! Hydroxyl radical
Integer, Parameter :: lso4accl = 06 ! Sulfate (attributed to accumulation mode)
Integer, Parameter :: lhso4accl = 07 ! bisulfate (attributed to accumulation mode)
Integer, Parameter :: lso3l = 08 ! sulfite
Integer, Parameter :: lhso3l = 09 ! bisulfite
Integer, Parameter :: lso2l = 10 ! sulfur dioxide
Integer, Parameter :: lco3l = 11 ! carbonate
Integer, Parameter :: lhco3l = 12 ! bicarbonate
Integer, Parameter :: lco2l = 13 ! carbon dioxide
Integer, Parameter :: lno3accl = 14 ! nitrate(attributed to accumulation mode)
Integer, Parameter :: lnh3l = 15 ! ammonia
Integer, Parameter :: lclaccl = 16 ! chloride ion (attributed to accumulation mode)
Integer, Parameter :: lh2o2l = 17 ! hydrogen peroxide
Integer, Parameter :: lo3l = 18 ! ozone
Integer, Parameter :: lfecorl = 19 ! iron
Integer, Parameter :: lmncorl = 20 ! Manganese
Integer, Parameter :: lal = 21 ! generalized anion associated with iron
Integer, Parameter :: lfoal = 22 ! Formic acid
Integer, Parameter :: lhco2l = 23 ! HCOO- ion
Integer, Parameter :: lmhpl = 24 ! Methyl hydrogen peroxide
Integer, Parameter :: lpaal = 25 ! Peroxyacidic acid
Integer, Parameter :: lhcll = 26 ! Hydrogen chloride
Integer, Parameter :: lpriml = 27 ! primary aerosol
Integer, Parameter :: lmgcorl = 28 ! coarse mode Magnesium
Integer, Parameter :: lkcorl = 29 ! coarse mode Potassium
Integer, Parameter :: lbl = 30 ! generalized anion associated with manganese
Integer, Parameter :: lhno3l = 31 ! nitric acid
! Integer, Parameter :: lprimcorl = 32 ! coarse-mode primary aerosol
Integer, Parameter :: lnumcorl = 32 ! coarse-mode number
Integer, Parameter :: lts6corl = 33 ! sulfate (attributed to coarse mode)
Integer, Parameter :: lnacorl = 34 ! sodium (attributed to coarse mode)
Integer, Parameter :: lclcorl = 35 ! chloride ion (attributed to coarse mode)
Integer, Parameter :: lno3corl = 36 ! nitrate (attributed to coarse mode)
Integer, Parameter :: lnh4corl = 37 ! ammonium (attributed to coarse mode)
Integer, Parameter :: lsoal = 38 ! secondary organic aerosols
Integer, Parameter :: lorgcl = 39 ! in-cloud soa
integer, parameter :: lpoal = 40 ! primary organic aerosols
Integer, Parameter :: lecl = 41 ! elemental carbon
Integer, Parameter :: lglyl = 42 ! glyoxal
Integer, Parameter :: lmglyl = 43 ! methylglyoxal
Integer, Parameter :: lcaaccl = 44 ! accumulation mode Calcium (AE6) SLN 16March2011
Integer, Parameter :: lmgaccl = 45 ! accumulation mode Magnesium (AE6) SLN 16March2011
Integer, Parameter :: lkaccl = 46 ! accumulation mode Potassium (AE6) SLN 16March2011
Integer, Parameter :: lsoilcl = 47 ! coarse mode SOIL (AE6) SLN 16March2011
Integer, Parameter :: lanthcl = 48 ! coarse mode CORS (lol) (AE6) SLN 16March2011
Integer, Parameter :: lseascl = 49 ! coarse mode SEAS (AE6) SLN 16March2011
Integer, Parameter :: lfeaccl = 50 ! accumulation mode Iron (AE6) SLN 22March2011
Integer, Parameter :: lmnaccl = 51 ! accumulation mode Manganese (AE6) SLN 22March2011
C for TX version
integer, parameter :: ltracerl = 52 ! TRACER
integer, parameter :: ltracercorl = 53 ! Coarse-mode TRACER
integer, parameter :: lphgfinel = 54 ! Fine-mode Mercury Tracer
integer, parameter :: lphgcorl = 55 ! Coarse-mode Mercury Tracer
C for sulfur tracking model
Integer, Parameter :: lts6aqh2o2l = 56 ! total S(VI) from aq H2O2 rxn
Integer, Parameter :: lts6aqo3l = 57 ! total S(VI) from aq O3 rxn
Integer, Parameter :: lts6aqfemnl = 58 ! total S(VI) from aq FE&MN catalyzed rxn
Integer, Parameter :: lts6aqmhpl = 59 ! total S(VI) from aq MHP rxn
Integer, Parameter :: lts6aqpaal = 60 ! total S(VI) from aq PAA rxn
Integer :: nsrggas( ngas ) ! # surrogates in CGRID for each gas
Integer :: lsrggas( ngas,mxsrg )
Integer, Allocatable, Save :: nsrgaer( :,: ) ! # surrogates in CGRID for each aerosol
Integer, Allocatable, Save :: lsrgaer( :,:,: )
Integer, Allocatable, Save :: cgrid2aq_map( : ) ! allocated in AQ_DATA_INIT
Character( 16 ), Allocatable, Save :: cgrid2aq_name( : ) ! allocated in AQ_DATA_INIT
Real( 8 ) :: jh2o2_hydrometeors ! H2O2 photolysis rate in condensed water [sec-1]
Real( 8 ) :: jhno3_hydrometeors ! HNO3 photolysis rate in condensed water [sec-1]
Logical, Private, Save :: mapped = .False.
Contains
C------------------------------------------------------------------------
Subroutine aq_data_init()
C Defines mapping from CGRID for species concentration and moments.
C Revision History:
C First version was coded in May 2010 by Steve Howard with
C Prakash Bhave, Jeff Young, and Sergey Napelenok.
C Jan 2017: Additional error check added to avoid array out of
C bounds when additional aerosol species are added. HOT Pye.
C-----------------------------------------------------------------------
Use cgrid_spcs ! CGRID mechanism species
Use utilio_defn
Use aero_data
Use phot_mod, Only: init_phot_shared ! set-up shared photolysis arrays
Implicit None
C Functions:
Integer, External :: indexn
C Local Variables:
Character( 100 ) :: xmsg
Character( 16 ), Allocatable, Save :: aename( : )
Character( 16 ), Allocatable, Save :: cgrid2aq( : )
Character( 10 ) :: bkground
Integer :: igas
Integer :: iaer
Integer :: isrg
Integer :: spc
Integer :: mode
Integer :: i
Integer :: n
Integer :: var
Logical :: new
Integer :: lsrg( mxsrg )
Integer :: n_cgrid2aq
Integer :: ios
C Local Variable used to determine what optional TX to add to surrogates
!Logical :: found_all_modes
!Integer :: n_missing_tx
!Integer :: n_which_txadd( nadd_tx )
Logical, Save :: Firstcall = .True.
C-----------------------------------------------------------------------
If ( Firstcall ) Then
Firstcall = .False.
Else
Return
End if
Call init_phot_shared()
Allocate ( aename( n_ae_a2aq ), stat = ios )
If ( ios .Ne. 0 ) Then
xmsg = '*** Error allocating aename'
Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )
End If
C...Build array of AE names that are mapped to AE_A2AQ
Do spc = 1, n_ae_a2aq
aename( spc ) = ae_spc( ae_a2aq_map( spc ) )
End Do
C...Set number of species in CGRID and used in Aqueous module
n_cgrid2aq = n_gc_g2aq + n_ae_a2aq + n_nr_n2aq + n_tr_t2aq
! Allocate ( cgrid2aq( n_cgrid2aq ),
! & cgrid2aq_map( n_cgrid2aq ), stat = ios )
! If ( ios .Ne. 0 ) Then
! xmsg = '*** Error allocating cgrid2aq or cgrid2aq_map'
! Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )
! End If
Allocate ( cgrid2aq( n_cgrid2aq ), stat = ios )
If ( ios .Ne. 0 ) Then
xmsg = '*** Error allocating cgrid2aq'
Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )
End If
Allocate ( cgrid2aq_map( n_cgrid2aq ), stat = ios )
If ( ios .Ne. 0 ) Then
xmsg = '*** Error allocating cgrid2aq_map'
Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )
End If
Allocate ( cgrid2aq_name( n_cgrid2aq ), stat = ios )
If ( ios .Ne. 0 ) Then
xmsg = '*** Error allocating cgrid2aq_name'
Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )
End If
C...Map aero species
Call map_aero()
naer = n_aerospc + naddaer + nadd_tx
Allocate ( srgaer( naer ), stat = ios )
If ( ios .Ne. 0 ) Then
xmsg = '*** Error allocating srgaer'
Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )
End If
Allocate ( nsrgaer( naer,nmodes ), stat = ios )
If ( ios .Ne. 0 ) Then
xmsg = '*** Error allocating nsrgaer'
Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )
End If
Allocate ( lsrgaer( naer,nmodes,mxsrg ), stat = ios )
If ( ios .Ne. 0 ) Then
xmsg = '*** Error allocating lsrgaer'
Call m3exit( 'aq_data_init', 0, 0, xmsg, xstat3 )
End If
C...Populate optional aerosol surrogate species (e.g.
C TRACER_AITKEN, TRACER_ACCUM, TRACER_COARSE,
C PHG_AITKEN, PHG_ACCUM, PHG_COARSE )
Do spc = 1, nadd_tx
srgaer( spc ) = srgaer_addtx( spc )
End Do
C...Initialize aerosol surrogate species from AERO_DATA table
Do var = 1, n_aerospc
spc = nadd_tx + var
srgaer( spc ) = sur_aer_type( (/' ',' ',' '/), 0.0, 0.0, 0.0 )
! Skip H2O, H2OP, and SOIL species
If ( var .Eq. ah2o_idx .Or. var .Eq. ah3op_idx ) Then
write(xmsg,'(4(A,1x))')'Skipping AQ surrogate for AEROSPC ',
& aerospc( spc-nadd_tx )%name( 1:n_mode )
Call m3warn( 'aq_data_init', 0, 0, xmsg )
Cycle
End if
Do mode = 1, n_mode
n = index1( aerospc( var )%name( mode ), n_ae_a2aq, aename )
If ( n .Gt. 0 ) Then
! Verify that surrogate is new
new = .True.
Do i = 1, spc
If ( ae_a2aq( n ) .Eq. srgaer( i )%name( mode ) ) Then
new = .False.; Exit
End If
End Do
If ( new ) Then
srgaer( spc )%name( mode ) = ae_a2aq( n )
srgaer( spc )%density = aerospc( var )%density
srgaer( spc )%molwt = aerospc_mw( var )
End If
End If
End Do ! mode
End Do ! spc
C...Initialize aerosol moment surrogates (i.e.
C NUM_AITKEN, NUM_ACCUM, NUM_COARSE,
C SRF_AITKEB, SRF_ACCUM, SRF_COARSE )
Do n = 1, naddaer
spc = n_aerospc + nadd_tx + n
srgaer( spc ) = addsrgaer( n )
End Do
#ifdef verbose_cloud
C...write out SRGGAS and SRGAER to verify
Write( logdev, 1005 )ngas
Do spc = 1, ngas
Write( logdev,1007 ) srggas( spc )%name, srggas( spc )%backgnd
End Do
Write( logdev,1009 ) naer
Do spc = 1, naer
Write( logdev,1111 ) srgaer( spc )%name, srgaer( spc )%density,
& srgaer( spc )%molwt, srgaer( spc )%backgnd
End Do
#endif
C...Prepare indices for aqueous species
C...CGRID map to aqueous species pointers for the gases
spc = 0
Do var = 1, n_gc_g2aq
spc = spc + 1
cgrid2aq( spc ) = gc_g2aq( var )
cgrid2aq_map( spc ) = gc_g2aq_map( var ) + gc_strt - 1
cgrid2aq_name( spc ) = gc_spc( gc_g2aq_map( var ) )
End Do
C...CGRID map to aqueous species pointers for the aerosols
Do var = 1, n_ae_a2aq
spc = spc + 1
cgrid2aq( spc ) = ae_a2aq( var )
cgrid2aq_map( spc ) = ae_a2aq_map( var ) + ae_strt - 1
cgrid2aq_name( spc ) = ae_spc( ae_a2aq_map( var ) )
End Do
C...CGRID map to aqueous species pointers for the non-reactives
Do var = 1, n_nr_n2aq
spc = spc + 1
cgrid2aq( spc ) = nr_n2aq( var )
cgrid2aq_map( spc ) = nr_n2aq_map( var ) + nr_strt - 1
cgrid2aq_name( spc ) = nr_spc( nr_n2aq_map( var ) )
End Do
C...CGRID map to aqueous species pointers for the tracers
Do var = 1, n_tr_t2aq
spc = spc + 1
cgrid2aq( spc ) = tr_t2aq( var )
cgrid2aq_map( spc ) = tr_t2aq_map( var ) + tr_strt - 1
cgrid2aq_name( spc ) = tr_spc( tr_t2aq_map( var ) )
End Do
write(logdev, 1114)
C...Create the pointers from CGRID to the gaseous species needed by AQCHEM
nsrggas = 0
Do igas = 1, ngas
nsrggas( igas ) = indexn( srggas( igas )%name, n_cgrid2aq, cgrid2aq, lsrg )
If ( nsrggas( igas ) .Eq. 0 ) Then
Write ( bkground, '(F8.4)' ) srggas( igas )%backgnd
xmsg = trim( srggas( igas )%name )
& // ' is not in GC or NR namelist so using background value of '
& // trim( bkground )
Call m3mesg( xmsg )
Else
Do isrg = 1, nsrggas( igas )
lsrggas( igas,isrg ) = lsrg( isrg )
#ifdef verbose_cloud
write( logdev,1113 ) cgrid2aq_name( lsrggas( igas,isrg ) ),
& cgrid2aq_map( lsrggas( igas,isrg ) ), srggas( igas )%name,
& igas,lsrggas( igas,isrg )
#endif
End Do
End If
End Do
C...Create the pointers from CGRID to the aerosol species needed by AQCHEM
nsrgaer = 0
write(logdev, 1114)
Do iaer = 1, naer
Do n = 1, nmodes
If ( srgaer( iaer )%name( n ) .Ne. ' ' ) Then
nsrgaer( iaer,n ) = indexn( srgaer( iaer )%name( n ), n_cgrid2aq,
& cgrid2aq, lsrg )
If ( nsrgaer( iaer,n ) .Eq. 0 ) Then
Write ( bkground, '(f8.4)' ) srgaer( iaer )%backgnd
xmsg = trim( srgaer( iaer )%name( n ) )
& // ' is not in AE namelist so using background value of '
& // trim( bkground )
Call m3mesg( xmsg )
Else
Do isrg = 1, nsrgaer( iaer,n )
If ( isrg .Gt. mxsrg ) Then
xmsg = 'lsrg will index out of bounds. Increase mxsrg in AQ_DATA.F'
Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )
End If
lsrgaer( iaer,n,isrg ) = lsrg( isrg )
#ifdef verbose_cloud
write( logdev,1113 ) cgrid2aq_name( lsrgaer( iaer,n,isrg ) ),
& cgrid2aq_map( lsrgaer( iaer,n,isrg ) ), srgaer( iaer )%name( n ),
& iaer, lsrgaer( iaer,n,isrg )
#endif
End Do
End If
End If
End Do
End Do
C...Create the pointers for required gas surrogate species needed by AQCHEM
lso2 = findSgrGas( req_so2 ) ! Sulfur Dioxide
lhno3 = findSgrGas( req_hno3 ) ! Nitric Acid
ln2o5 = findSgrGas( req_n2o5 ) ! Dinitrogen Pentoxide
lco2 = findSgrGas( req_co2 ) ! Carbon Dioxide
lnh3 = findSgrGas( req_nh3 ) ! Ammonia
lh2o2 = findSgrGas( req_h2o2 ) ! Hydrogen Perioxide
lo3 = findSgrGas( req_o3 ) ! Ozone
lfoa = findSgrGas( req_foa ) ! Formic Acid
lmhp = findSgrGas( req_mhp ) ! Methyl Hydrogen Peroxide
lpaa = findSgrGas( req_paa ) ! Peroxyacidic Acid
lh2so4 = findSgrGas( req_h2so4 ) ! Sulfuric Acid
lhcl = findSgrGas( req_hcl ) ! Hydrogen Chloride
lgly = findSgrGas( req_gly ) ! Glyoxal
lmgly = findSgrGas( req_mgly ) ! Methylglyoxal
lho = findSgrGas( req_ho ) ! OH, hydroxyl radical
C...Create the pointers for required aerosol surrogate species needed by AQCHEM
lso4 = findSgrAer( req_aso4 ) ! Sulfate
lnh4 = findSgrAer( req_anh4 ) ! Ammonium
lno3 = findSgrAer( req_ano3 ) ! Nitrate
lsoa = findSgrAer( req_asoa ) ! SOA
lorgc = findSgrAer( req_aorgc ) ! SOA (anthropogenic organic oligomers)
lpoa = findSgrAer( req_apoa ) ! Primary organic aerosol
lec = findSgrAer( req_aec ) ! Elemental carbon
lpri = findSgrAer( req_apri ) ! Primary aerosol (Aitken and Accumulation)
! lpricor= findSgrAer( req_apric ) ! Primary aerosol (coarse)
lna = findSgrAer( req_ana ) ! Sodium
lcl = findSgrAer( req_acl ) ! Chloride ion
! lcaco3 = findSgrAer( req_acaco3 ) ! Calcium Carbonate aerosol (place holder)
! lmgco3 = findSgrAer( req_amgco3 ) ! Magnesium Carbonate aerosol (place holder)
! la3fe = findSgrAer( req_aa3fe ) ! Iron aerosol (place holder)
! lb2mn = findSgrAer( req_ab2mn ) ! Manganese aerosol (place holder)
! lk = findSgrAer( req_ak ) ! Potassium aerosol (Cl- tracked separately)
lnum = findSgrAer( req_num ) ! Number
lsrf = findSgrAer( req_srf ) ! Surface area
lcaacc = findSgrAer( req_caacc ) ! Ca in Accumulation mode (AE6) SLN 16March2011
lmgacc = findSgrAer( req_mgacc ) ! Mg in Accumulation mode (AE6) SLN 16March2011
lkacc = findSgrAer( req_kacc ) ! K in Accumulation mode (AE6) SLN 16March2011
lfeacc = findSgrAer( req_feacc ) ! Fe in Accumulation mode (AE6) SLN 22March2011
lmnacc = findSgrAer( req_mnacc ) ! Mn in Accumulation mode (AE6) SLN 22March2011
lsoilc = findSgrAer( req_soilc ) ! SOIL in Coarse mode (AE6) SLN 16March2011
lanthc = findSgrAer( req_anthc ) ! CORS in Coarse mode (AE6) SLN 16March2011
lseasc = findSgrAer( req_seasc ) ! SEAS in Coarse mode (AE6) SLN 16March2011
C...For TXHG version
ltracer_akn = findSgrAer( req_traceri ) ! Tracer aitken mode
ltracer_acc = findSgrAer( req_tracerj ) ! Tracer accumation mode
ltracer_cor = findSgrAer( req_tracerk ) ! Tracer coarse mode
lphg_akn = findSgrAer( req_phgi ) ! Mercuric aitken and accumulation modes
lphg_acc = findSgrAer( req_phgj ) ! Mercuric aitken and accumulation modes
lphg_cor = findSgrAer( req_phgk ) ! Mercuric coarse mode
C...For sulfur tracking model
If ( stm ) Then
lso4aqh2o2 = findSgrAer( req_aso4aqh2o2 ) ! Sulfate from aq H2O2 rxn
lso4aqo3 = findSgrAer( req_aso4aqo3 ) ! Sulfate from aq O3 rxn
lso4aqfemn = findSgrAer( req_aso4aqfemn ) ! Sulfate from aq rxn catalyzed by FE&MN
lso4aqmhp = findSgrAer( req_aso4aqmhp ) ! Sulfate from aq MHP rxn
lso4aqpaa = findSgrAer( req_aso4aqpaa ) ! Sulfate from aq PAA rxn
End If
mapped = .True.
#ifdef verbose_cloud
Write( logdev,'( /5x, a )' ) 'AQCHEM gas surrogate species'
Write( logdev,'( 5x, a, i4 )' ) 'lso2: ', lso2
Write( logdev,'( 5x, a, i4 )' ) 'lhno3: ', lhno3
Write( logdev,'( 5x, a, i4 )' ) 'ln2o5: ', ln2o5
Write( logdev,'( 5x, a, i4 )' ) 'lco2: ', lco2
Write( logdev,'( 5x, a, i4 )' ) 'lnh3: ', lnh3
Write( logdev,'( 5x, a, i4 )' ) 'lh2o2: ', lh2o2
Write( logdev,'( 5x, a, i4 )' ) 'lo3: ', lo3
Write( logdev,'( 5x, a, i4 )' ) 'lfoa: ', lfoa
Write( logdev,'( 5x, a, i4 )' ) 'lmhp: ', lmhp
Write( logdev,'( 5x, a, i4 )' ) 'lpaa: ', lpaa
Write( logdev,'( 5x, a, i4 )' ) 'lh2so4: ', lh2so4
Write( logdev,'( 5x, a, i4 )' ) 'lhcl: ', lhcl
Write( logdev,'( 5x, a, i4 )' ) 'lgly: ', lgly
Write( logdev,'( 5x, a, i4 )' ) 'lmgly: ', lmgly
Write( logdev,'( 5x, a, i4 )' ) 'lho: ', lho
Write( logdev,'( /5x, a )' ) 'AQCHEM aer osol surrogate species'
Write( logdev,'( 5x, a, i4 )' ) 'lso4: ', lso4
Write( logdev,'( 5x, a, i4 )' ) 'lnh4: ', lnh4
Write( logdev,'( 5x, a, i4 )' ) 'lno3: ', lno3
Write( logdev,'( 5x, a, i4 )' ) 'lsoa: ', lsoa
Write( logdev,'( 5x, a, i4 )' ) 'lorgc: ', lorgc
Write( logdev,'( 5x, a, i4 )' ) 'lpoa: ', lpoa
Write( logdev,'( 5x, a, i4 )' ) 'lec: ', lec
Write( logdev,'( 5x, a, i4 )' ) 'lpri: ', lpri
Write( logdev,'( 5x, a, i4 )' ) 'lna: ', lna
Write( logdev,'( 5x, a, i4 )' ) 'lcl: ', lcl
Write( logdev,'( 5x, a, i4 )' ) 'lnum: ', lnum
Write( logdev,'( 5x, a, i4 )' ) 'lsrf: ', lsrf
Write( logdev,'( 5x, a, i4 )' ) 'lcaacc: ', lcaacc
Write( logdev,'( 5x, a, i4 )' ) 'lmgacc: ', lmgacc
Write( logdev,'( 5x, a, i4 )' ) 'lkacc: ', lkacc
Write( logdev,'( 5x, a, i4 )' ) 'lfeacc: ', lfeacc
Write( logdev,'( 5x, a, i4 )' ) 'lmnacc: ', lmnacc
Write( logdev,'( 5x, a, i4 )' ) 'lsoilc: ', lsoilc
Write( logdev,'( 5x, a, i4 )' ) 'lanthc: ', lanthc
Write( logdev,'( 5x, a, i4 )' ) 'lseasc: ', lseasc
Write( logdev,'( 5x, a, i4 )' ) 'ltracer_akn: ', ltracer_akn
Write( logdev,'( 5x, a, i4 )' ) 'ltracer_acc: ', ltracer_acc
Write( logdev,'( 5x, a, i4 )' ) 'ltracer_cor: ', ltracer_cor
Write( logdev,'( 5x, a, i4 )' ) 'lphg_akn: ', lphg_akn
Write( logdev,'( 5x, a, i4 )' ) 'lphg_acc: ', lphg_acc
Write( logdev,'( 5x, a, i4 )' ) 'lphg_cor: ', lphg_cor
If ( stm ) Then
Write( logdev,'( 5x, a, i4 )' ) 'lso4aqh2o2:', lso4aqh2o2
Write( logdev,'( 5x, a, i4 )' ) 'lso4aqo3: ', lso4aqo3
Write( logdev,'( 5x, a, i4 )' ) 'lso4aqfemn:', lso4aqfemn
Write( logdev,'( 5x, a, i4 )' ) 'lso4aqmhp: ', lso4aqmhp
Write( logdev,'( 5x, a, i4 )' ) 'lso4aqpaa: ', lso4aqpaa
End If
#endif
Write( logdev,'( / 5x, a / )' ) ' --- AQCHEM Gas and Aerosol Species Mapped ---'
C1005 Format( / "GASES" / "NGAS = ", i3 / " name "," backgrd" // )
C1007 Format( a16, 1x, f8.2 )
C1009 Format( / "AEROSOLS" / "NAER = ", i3 / " name(1) ", " name(2) ",
C & " name(3) ", " dens ", " backgrd" // )
C1111 Format( 3(a16,1x), f6.0, 2(1x, f8.2) )
C1113 Format( a16, 1x, i4, 1x, a16, 1x, i4, 1x, i4)
1114 Format( / " CGRID_SPC ", 1x, "SPC ", 1x, " SURROGATE ", 1x, "ISRG", 1x, "IDX " )
Return
End Subroutine aq_data_init
C-----------------------------------------------------------------------
Function findSgrGas( vname ) Result ( idx )
C Finds the index of 'required' gas surrogate species in the srggas list
C Revision History:
C First version was coded in April 2010 by Steve Howard with
C Prakash Bhave, Jeff Young, and Sergey Napelenok.
C-----------------------------------------------------------------------
Use utilio_defn
Implicit None
C Arguments:
Character( 16 ) :: vname
Integer idx
C Local Variables:
Character( 80 ) :: xmsg
Integer spc
idx = 0
Do spc = 1, ngas
If ( srggas( spc )%name .Eq. vname ) Then
idx = spc
! Write( *,'(a,i5)' ) vname, idx
Return
End If
End Do
xmsg = 'Required Species ' // Trim( vname ) // ' Not found in SgrGas names array'
Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )
Return
End Function findSgrGas
C-----------------------------------------------------------------------
Function findSgrAer( vname ) Result ( idx )
C Finds the index of 'required' Aerosol surrogate species in the srgaer list
C Revision History:
C First version was coded in April 2010 by Steve Howard with
C Prakash Bhave, Jeff Young, and Sergey Napelenok.
C-----------------------------------------------------------------------
Use utilio_defn
Implicit None
C Arguments:
Character( 16 ) :: vname
Integer idx
C Local Variables:
Character( 80 ) :: xmsg
Integer spc, n
idx = 0
Do spc = 1, naer
Do n = 1, nmodes
! Write( *,'(a,i5)' ) vname, spc
If ( srgaer( spc )%name( n ) .Eq. vname ) Then
idx = spc
! Write( *,'(a,i5)' ) vname, idx
Return
End If
End Do
End Do
xmsg = 'Required Species ' // Trim( vname ) // ' Not found in SgrAer names array'
Call m3exit( 'AQ_DATA', 0, 0, xmsg, xstat3 )
Return
End Function findSgrAer
C-----------------------------------------------------------------------
Subroutine set_aeconcmin( aeconcmin )
C-----------------------------------------------------------------------
C
C Function:
C set minimum concentrations for aerosol species
C routine called from convcld_acm
C
C Preconditions:
C Dates and times represented YYYYDDD:HHMMSS.
C
C Revision History:
C 5/05 copied code from aero_depv to begin subroutine
C 4/08 J.Kelly: added code to set min for coarse surface area
C 21 Jun 10 J.Young: convert for Namelist redesign
C-----------------------------------------------------------------------
Use cgrid_spcs ! CGRID mechanism species
Use aero_data
Use utilio_defn
Implicit None
C..Includes:
Include SUBST_CONST ! constants
C..Functions:
C..Arguments:
Real, Intent( Out ) :: aeconcmin( : ) ! array of minimum concentrations
C..Local Variables:
!Character( 16 ) :: pname = 'SET_AECONCMIN' ! program name
Integer m ! mode loop counter
Integer n ! aerospc loop counter
Integer spc ! species loop counter
! compute minimums for numbers and surfaces
Do m = 1, n_mode
spc = index1( aeromode( m )%num_name, n_ae_spc, ae_spc )
aeconcmin( spc ) = aeromode_minNum( m ) * mwair * 1.0E-3
spc = index1( aeromode( m )%srf_name, n_ae_spc, ae_spc )
aeconcmin( spc ) = aeromode_minM2( m ) * mwair * 1.0E-3
End Do
! compute minimums for aerosol species
Do m = 1, n_mode
Do n = 1, n_aerospc
If ( .NOT. aero_missing(n,m) ) Then
spc = index1( aerospc( n )%name( m ), n_ae_spc, ae_spc )
If ( spc .Ne. 0 ) Then
aeconcmin( spc ) = aerospc( n )%min_conc( m ) * mwair * 1.0E-9 / ae_molwt( spc )
End If
End If
End Do
End Do
Return
End Subroutine set_aeconcmin
End Module aq_data