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AERO_DATA.F
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AERO_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 RCS file, release, date & time of last delta, author, state, [and locker]
C $Header: /project/yoj/arc/CCTM/src/aero/aero6/AERO_DATA.F,v 1.10 2012/01/19 13:18:37 yoj Exp $
C:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
Module aero_data
C Defines aerosol species arrays and the parameters required in aerosol
C processing.
C Contains:
C Subroutine map_aero
C Subroutine map_pmemis
C Subroutine extract_aero
C Subroutine update_aero
C Function findAero
C Revision History:
C First version was coded in April 2010 by Steve Howard with
C Prakash Bhave, Jeff Young, and Sergey Napelenok.
C HS = Heather Simon; GS = Golam Sarwar; SH = Steve Howard; SR = Shawn Roselle;
C JY = Jeff Young; HOTP = Havala Pye; KF = Kathleen Fahey, CGN = Chris Nolte;
C PL = Peng Liu;
C HS 01/24/11 Updated to initial AERO6; PMOTHR -> 9 species
C GS 03/02/11 Revised parameters for Mg, K, and Ca
C SH 03/10/11 Inserted functionality of PMEM_DEFN
C -new subroutine map_pmemis
C HS 03/10/11 Made PNCOM a required species
C SR 03/25/11 Replaced I/O API include files with UTILIO_DEFN
C SH 04/04/11 Added sea-salt speciation factors
C GS 04/09/11 Updated sea-salt speciation; replaced ANAK with ASEACAT;
C made MG, K, CA, SEACAT required species;
C JY 04/21/11 Added optional log messages (verbose_aero)
C JY 05/02/11 Added Reshape to aerospc_ssf initialization for pgf90 compiler
C BH 08/31/11 Adapted for mercury and HAP mechanisms
C JY 06/08/12 remove full character blank padding put in for GNU Fortran (GCC) 4.1.2
C HOTP 01/16/13 Removed isoprene acid enhanced aerosol and added new isoprene aerosol
C HOTP 01/18/13 Added information for particle phase reaction of isoprene products
C based on Eddingsaas et al. 2010
C KF 09/17/14 Changed emitted modal PM mass fractions and geometric mean diameter and
C geometric standard deviation of emitted particles according to
C Elleman and Covert (2010)
C HOTP 09/27/14 Added alkane and PAH SOA species. PAH SOA densities follow Chan et al.
C JY 08/24/15 Changed visual index factors
C HOTP 2/17/2016 Updated SOA densities. BTX follows Ng et al. 2007.
C 1.4 g/cm3 used by default.
C JY 02/17/16 Created named constants for speciation and other factors for AERO_EMIS,
C DUST_EMIS, aero_subs:VOLINORG, and aqchem
C CGN 04/14/16 Changed AMGJ speciation factor from 0.0 to 0.019 following Upadhyay et al.
C HOTP,BM 5/20/16 Updated to work with all ae6 mechs (6, 6i, 6mp)
C PL 05/15/16 Update visual_idx, and add visual_idx_large in spcs_type, due to ammonium sulfate, nitrate and OM
C are splitted into small and large modes.
C visual_idx for ammominm is zero, because it will be treated together with sulfate and nitrate
C see Pitchford et al., Journal of the Air & Waste Management Association (57)(2007), pp 1326
C PL 05/15/16 Add "om" in spcs_type, to flag organic aerosols, which
C will be used to calculate total mass of organic aerosls for estimating
C aerosol extinction efficiency
C References:
C 1. Eddingsaas, N. C., Vandervelde, D. G., Wennberg, P. O., "Kinetics and
C products of the acid-catalyzed ring-opening of atmospherically relevant
C butyl epoxy alcohols," J. Phys. Chem. A., 2010, 114, 8106-8113.
C 2. Chan, et al., "Secondary organic aerosol formation from photooxidation
C of naphthalene and alkylnaphthalenes: implications for oxidation of
C intermediate volatility organic compounds (IVOCs)", Atmos. Chem. Phys.,
C 2009, 9, 3049-3060.
C 3. Ng, N. L., Kroll, J. H., Chan, A. W. H., Chhabra, P. S., Flagan, R.
C C., and Seinfeld, J. H.: Secondary organic aerosol formation from
C m-xylene, toluene, and benzene, Atmos. Chem. Phys., 7, 3909-3922,
C doi:10.5194/acp-7-3909-2007, 2007.
C 4. Elleman and Covert, "Aerosol size distribution modeling with the Community Multiscale
C Air Quality modeling system in the Pacific Northwest: 3. Size distribution of
C particles emitted into a mesoscale model", JGR, 115, D03204, 2010
C 5. Simon, et al., "The development and uses of EPA's SPECIATE database",
C Atmos. Poll. Res., 1, 196-206, 2010
C 6. Upadhyay, et al., "Size-Differentiated Chemical Composition of Re-Suspended Soil
C Dust from the Desert Southwest United States," Aero. and AQ Res., 2015, 387-398
C JY: From Christian Hogrefe...
C Based on Malm and Hand (Atmos. Env. 41, 3407-3427, 2007), the revised
C IMPROVE extinction calculation includes coarse particles, sea salt, and
C a relative humidity correction for sea salt. Also, the factor for "LAC"
C (light absorbing carbon, i.e. AECI and AECJ) should be 10, not 0 since
C both scattering and absorption contribute to total extinction.
C ASEACAT includes all sea-salt cations in coarse mode (Na, Ca, K, and Mg)
C Also note...
C In the Fortran user-derived spcs_type, below, visual_idx is an optimal dry mass
C extinction efficiency [m^2/g], see White, Atmos.Env., 294(10)(1990), pp 2673-1672
C and Malm, et al., JGR, 99(D1)(1994), pp 1347-1370
C----------------------------------------------------------------------
Implicit None
C Number of aerosol species and modes
Integer, Parameter :: n_aerolist = 89 ! number of aero species
Integer, Parameter :: n_mode = 3 ! number of modes:
! 1 = Aitken
! 2 = accumulation
! 3 = coarse
Integer, Save :: n_aerospc ! number of aero species
C Default minimum concentration
Real, Parameter :: conmin = 1.0E-30 ! [ ug/m^3 ]
Real(8), Parameter :: conminD = 1.0D-30 ! [ ug/m^3 ]
Real, Parameter :: evapmin = 1.0E-20 ! [ ug/m^3 ]
Real(8), Parameter :: evapminD= 1.0D-20 ! [ ug/m^3 ]
Real, Parameter :: cm_set( n_mode ) = (/conmin, conmin, conmin/)
Real, Parameter :: cm_so4( n_mode ) = (/1.0E-12,1.0E-6, conmin/)
Real, Parameter :: cm_cor( n_mode ) = (/conmin, conmin, 1.889544E-05/)
C Emissions splits
Real, Parameter :: es_fin( n_mode ) = (/ 0.100, 0.900, 0.000 /)
Real, Parameter :: es_acc( n_mode ) = (/ 0.000, 1.000, 0.000 /)
Real, Parameter :: es_cor( n_mode ) = (/ 0.000, 0.000, 1.000 /)
Real, Parameter :: es_0 ( n_mode ) = (/ 0.000, 0.000, 0.000 /)
C Geometric mean diameter by volume (or mass) of emitted particles in
C each mode [ m ]. See paragraph #14 of Binkowski & Roselle (2003)
C 09/17/14 change by Kathleen Fahey - see Revision History, above
Real, Parameter :: dgvem( n_mode ) = (/ 0.06E-6, 0.28E-6, 6.0E-6 /)
Real, Parameter :: def_diam( n_mode ) = (/ 15.0E-9, 80.0E-9, 600.0E-9 /) ! default background mean diameter for each mode
Real, Parameter :: min_diam_g( n_mode ) = (/ 1.0E-9, 30.0E-9, 120.0E-9 /)
Real, Parameter :: max_diam_g( n_mode ) = (/ 30.0E-9, 120.0E-9, 100.0E-6 /)
C Geometric standard deviation of emitted particles in each mode, as
C described in paragraph #14 of Binkowski & Roselle (2003)
C 09/17/14 change by Kathleen Fahey - see Revision History, above
Real, Parameter :: sgem( n_mode ) = (/ 1.7, 1.7, 2.2 /)
Real, Parameter :: def_sigma_g( n_mode ) = (/ 1.70, 2.0, 2.2 /) ! default background sigma-g for each mode
Real, Parameter :: min_sigma_g = 1.05
Real, Parameter :: max_sigma_g = 2.5001
Real, Save :: def_l2sg( n_mode ), max_l2sg, min_l2sg
C Flag to obtain coagulation coefficients
C by analytical approximation (True) or by Gauss-Hermite quadrature (False)
Logical, Parameter :: fastcoag_flag = .True.
C Define Logical values as T and F for the aerospc table
Logical, Parameter, Private :: T = .true.
Logical, Parameter, Private :: F = .false.
Integer, Private, Save :: logdev
Integer, Private, External :: setup_logdev
C-------------------------------------------------------------------------------------------------------
Type spcs_type
Character( 16 ) :: name( n_mode ) ! names of aerosol species for each mode
Real :: min_conc( n_mode ) ! minimum concentration values for each mode
Real :: density ! density [ kg/m^3 ]
Logical :: no_M2Wet ! flag to exclude from 2nd moment during transport
Logical :: nonVol_soa ! non-volatile SOA flag
Logical :: tracer ! tracer flag; does have not mass
Integer :: charge ! electroneutrality charge
Real :: visual_idx ! visual index factor [ m^2/g ]
Real :: visual_idx_large ! visual index factor [m^2/g ] for large mode, if not applicable, same value as visual_idx
Logical :: om ! flag for organic aerosols
Character( 16 ) :: optic_surr ! optical surrogate name
Character( 16 ) :: emis ! file emissions names
Real :: emis_split( n_mode ) ! minimum concentration values for each mode
End Type spcs_type
! Create Array of Aerosol Species to Be Filled with User Preferences
Type( spcs_type ), Allocatable, Save :: aerospc ( : )
! Master List of Aerosol Species and Properties
Type( spcs_type ), Parameter :: aerolist( n_aerolist ) = (/
C nonVolSOA Visidx_Large
C no_M2Wet|Tracer |
C -------------Name-------------- | | | Charge | OM Emissions
C Aitken Accum Coarse Min_Concs Density | | | | Visidx | | OptSurr Emis Splits
C --------- --------- --------- --------- ------- + + + + ------ --- + -------- --------------- ------
& spcs_type((/'ASO4I ','ASO4J ','ASO4K '/), cm_so4, 1800.0, F,F,F, -2, 2.2, 4.8,F, 'SOLUTE','PSO4 ',es_fin),
& spcs_type((/'ANO3I ','ANO3J ','ANO3K '/), cm_set, 1800.0, F,F,F, -1, 2.4, 5.1,F, 'SOLUTE','PNO3 ',es_fin),
& spcs_type((/'ACLI ','ACLJ ','ACLK '/), cm_set, 2200.0, F,F,F, -1, 1.7, 1.7,F, 'SOLUTE','PCL ',es_fin),
& spcs_type((/'ANH4I ','ANH4J ','ANH4K '/), cm_set, 1800.0, F,F,F, 1, 0.0, 0.0,F, 'SOLUTE','PNH4 ',es_fin),
& spcs_type((/'ANAI ','ANAJ ',' '/), cm_set, 2200.0, F,F,F, 1, 1.7, 1.7,F, 'SOLUTE','PNA ',es_fin),
& spcs_type((/' ','AMGJ ',' '/), cm_set, 2200.0, F,F,F, 2, 1.0, 1.0,F, 'DUST ','PMG ',es_acc),
& spcs_type((/' ','AKJ ',' '/), cm_set, 2200.0, F,F,F, 1, 1.0, 1.0,F, 'DUST ','PK ',es_acc),
& spcs_type((/' ','ACAJ ',' '/), cm_set, 2200.0, F,F,F, 2, 1.0, 1.0,F, 'DUST ','PCA ',es_acc),
& spcs_type((/'APOCI ','APOCJ ',' '/), cm_set, 1400.0, F,F,F, 0, 2.8, 6.1,T, 'DUST ','POC ',es_fin),
& spcs_type((/'APNCOMI ','APNCOMJ ',' '/), cm_set, 1400.0, F,F,F, 0, 2.8, 6.1,T, 'DUST ','PNCOM ',es_fin),
& spcs_type((/'AECI ','AECJ ',' '/), cm_set, 2200.0, F,F,F, 0, 10.0,10.0,F, 'SOOT ','PEC ',es_fin),
& spcs_type((/' ','AFEJ ',' '/), cm_set, 2200.0, F,F,F, 0, 1.0, 1.0,F, 'DUST ','PFE ',es_acc),
& spcs_type((/' ','AALJ ',' '/), cm_set, 2200.0, F,F,F, 0, 1.0, 1.0,F, 'DUST ','PAL ',es_acc),
& spcs_type((/' ','ASIJ ',' '/), cm_set, 2200.0, F,F,F, 0, 1.0, 1.0,F, 'DUST ','PSI ',es_acc),
& spcs_type((/' ','ATIJ ',' '/), cm_set, 2200.0, F,F,F, 0, 1.0, 1.0,F, 'DUST ','PTI ',es_acc),
& spcs_type((/' ','AMNJ ',' '/), cm_set, 2200.0, F,F,F, 0, 1.0, 1.0,F, 'DUST ','PMN ',es_acc),
& spcs_type((/'AH2OI ','AH2OJ ','AH2OK '/), cm_set, 1000.0, T,F,F, 0, 0.0, 0.0,F, 'WATER ','PH2O ',es_fin),
& spcs_type((/'AH3OPI ','AH3OPJ ','AH3OPK '/), cm_set, 1000.0, T,F,T, 0, 0.0, 0.0,F, 'WATER ',' ',es_0),
& spcs_type((/'AOTHRI ','AOTHRJ ',' '/), cm_set, 2200.0, F,F,F, 0, 1.0, 1.0,F, 'DUST ','PMOTHR ',es_fin),
& spcs_type((/' ','AALK1J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AALK2J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AXYL1J ',' '/), cm_set, 1480.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AXYL2J ',' '/), cm_set, 1480.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AXYL3J ',' '/), cm_set, 1330.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ATOL1J ',' '/), cm_set, 1240.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ATOL2J ',' '/), cm_set, 1240.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ATOL3J ',' '/), cm_set, 1450.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ABNZ1J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ABNZ2J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ABNZ3J ',' '/), cm_set, 1400.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ATRP1J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ATRP2J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AISO1J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AISO2J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AISO3J ',' '/), cm_set, 1400.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ASQTJ ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','APAH1J ',' '/), cm_set, 1480.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','APAH2J ',' '/), cm_set, 1480.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','APAH3J ',' '/), cm_set, 1550.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AOLGAJ ',' '/), cm_set, 1400.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AOLGBJ ',' '/), cm_set, 1400.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AORGCJ ',' '/), cm_set, 1400.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ',' ','ASOIL '/), cm_set, 2600.0, F,F,F, 0, 0.6, 0.6,F, 'DUST ',' ',es_cor),
& spcs_type((/' ',' ','ACORS '/), cm_cor, 2200.0, F,F,F, 0, 0.6, 0.6,F, 'DUST ','PMC ',es_cor),
& spcs_type((/' ',' ','ASEACAT '/), cm_cor, 2200.0, F,F,F, 1, 1.7, 1.7,F, 'SOLUTE',' ',es_cor),
! Associated with ae6i
& spcs_type((/' ','AMTNO3J ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AISOPNNJ ',' '/), cm_set, 1400.0, T,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AMTHYDJ ',' '/), cm_set, 1400.0, F,T,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AIETETJ ',' '/), cm_set, 1400.0, F,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AIEOSJ ',' '/), cm_set, 1400.0, F,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ADIMJ ',' '/), cm_set, 1400.0, F,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AIMGAJ ',' '/), cm_set, 1400.0, F,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','AIMOSJ ',' '/), cm_set, 1400.0, F,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
! ae6i and cb6
& spcs_type((/' ','AGLYJ ',' '/), cm_set, 1400.0, F,F,F, 0, 2.8, 6.1,T, 'DUST ',' ',es_0),
! Semivolatile POA
& spcs_type((/'ALVPO1I ','ALVPO1J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ','POC ',es_fin),
& spcs_type((/'ASVPO1I ','ASVPO1J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ','POC ',es_fin),
& spcs_type((/'ASVPO2I ','ASVPO2J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ','POC ',es_fin),
& spcs_type((/' ','ASVPO3J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ','POC ',es_acc),
& spcs_type((/' ','AIVPO1J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ','POC ',es_acc),
& spcs_type((/'ALVOO1I ','ALVOO1J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/'ALVOO2I ','ALVOO2J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/'ASVOO1I ','ASVOO1J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/'ASVOO2I ','ASVOO2J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ',' ',es_0),
& spcs_type((/' ','ASVOO3J ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ',' ',es_0), ! pcSOA
& spcs_type((/' ','APCSOJ ',' '/), cm_set, 1400.0, T,F,F, 0, 4.0, 6.1,T, 'DUST ',' ',es_0),
! The following species are associated with the Multi-Pollutant code
& spcs_type((/'ANII ','ANIJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','NICKEL_F ',es_fin),
& spcs_type((/' ',' ','ANIK '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','NICKEL_C ',es_cor),
& spcs_type((/'ACR_VII ','ACR_VIJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','CHROMHEX_F ',es_fin),
& spcs_type((/' ',' ','ACR_VIK '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','CHROMHEX_C ',es_cor),
& spcs_type((/'ACR_IIII ','ACR_IIIJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','CHROMTRI_F ',es_fin),
& spcs_type((/' ',' ','ACR_IIIK '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','CHROMTRI_C ',es_cor),
& spcs_type((/'ABEI ','ABEJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','BERYLLIUM_F ',es_fin),
& spcs_type((/' ',' ','ABEK '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','BERYLLIUM_C ',es_cor),
& spcs_type((/'APBI ','APBJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','LEAD_F ',es_fin),
& spcs_type((/' ',' ','APBK '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','LEAD_C ',es_cor),
& spcs_type((/'ADE_OTHRI','ADE_OTHRJ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','DIESEL_PMFINE',es_fin),
& spcs_type((/'ADE_ECI ','ADE_ECJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','DIESEL_PMEC ',es_fin),
& spcs_type((/'ADE_OCI ','ADE_OCJ ',' '/), cm_set, 2000.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','DIESEL_PMOC ',es_fin),
& spcs_type((/' ','ADE_NO3J ',' '/), cm_set, 1800.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','DIESEL_PMNO3 ',es_acc),
& spcs_type((/' ','ADE_SO4J ',' '/), cm_set, 1800.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','DIESEL_PMSO4 ',es_acc),
& spcs_type((/' ',' ','ADE_K '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','DIESEL_PMC ',es_cor),
& spcs_type((/'ACDI ','ACDJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','CADMIUM_F ',es_fin),
& spcs_type((/' ',' ','ACDK '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','CADMIUM_C ',es_cor),
& spcs_type((/'AMN_HAPSI','AMN_HAPSJ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','MANGANESE_F ',es_fin),
& spcs_type((/' ',' ','AMN_HAPSK'/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','MANGANESE_C ',es_cor),
& spcs_type((/'APHGI ','APHGJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','PHGI ',es_fin),
& spcs_type((/' ',' ','APHGK '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ',' ',es_cor),
& spcs_type((/'AASI ','AASJ ',' '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','ARSENIC_F ',es_fin),
& spcs_type((/' ',' ','AASK '/), cm_set, 2200.0, F,F,T, 0, 0.0, 0.0,F, 'DUST ','ARSENIC_C ',es_cor)
& /)
C Primary Organic Aerosol Volatility Distributions
Integer, Parameter :: n_vbs_bin = 5
Character( 10 ) :: poa_name( n_vbs_bin ) = (/ 'LVPO1', 'SVPO1', 'SVPO2', 'SVPO3', 'IVPO1' /)
Real, Parameter :: poa_op_vf( n_vbs_bin ) = (/ 0.09, 0.09, 0.14, 0.18, 0.5 /) ! Aggregated
! The Following Volatility Distributions are alternative options
! but at this point can only be implemented indivdually for the
! entire POA suite of compounds.
! Real, Parameter :: poa_gv_vf(n_vbs_bin) = (/0.27, 0.15, 0.26, 0.15, 0.17/) ! Gasoline
! Real, Parameter :: poa_dv_vf(n_vbs_bin) = (/0.03, 0.25, 0.37, 0.24, 0.11/) ! Diesel
! Real, Parameter :: poa_bb_vf(n_vbs_bin) = (/0.2, 0.1, 0.1, 0.2, 0.4/) ! Biomass Burning
! Real, Parameter :: poa_nv_vf(n_vbs_bin) = (/1.0, 0.0, 0.0, 0.0, 0.0/) ! Nonvolatile
! Real, Parameter :: poa_mc_vf(n_vbs_bin) = (/0.35, 0.35, 0.1, 0.1, 0.1/) ! Meat Cooking
! POA_AMF is the fraction of total emissions in the particle phase.
! This parameter is for distributing the total emissions between
! gas and particle BEFORE the aerosol size distribution is applied.
! This helps prevent numerical issues with shrinking the particles
! instantaneously.
Real, Parameter :: poa_amf( n_vbs_bin ) = (/ 1.0, 0.5, 0.0, 0.0, 0.0 /)
C number of lognormal modes in windblown dust aerosol = n_mode
C - but only accumulation and coarse modes used
Type emis_table
Character( 16 ) :: description
Character( 16 ) :: name ( n_mode )
Real :: spcfac( n_mode )
End type emis_table
C For the wind-blown dust speciation factors, we used the median of the Desert Soil
C profiles 3398, 3403, 3408, and 3413 for the J mode from the SPECIATE database and
C profiles 3399, 3404, 3409, and 3414 for coarse PM. (G. Pouliot - private communication)
C See Ref. (4), above and https://cfpub.epa.gov/si/speciate/
! For toxic metal species, more recent sources were consulted because the above profiles give large uncertainties in their
! speciation factors
! For the air toxics version of manganese, nickel, chromium(III), arsenic, and lead:
! Table 2 in Y. Su, and R. Yang., Background concentrations of elements in surface soils and
! their changes as affected by agriculture use in the desert-oasis ecotone in the middle of Heihe
! River Basin, North-west China, Journal of Geochemical Exploration, 98, 2008, 57–64 was used.
! The table represents natural desert soils prior to cultivation. Note that all chromium is
! to be trivalent based on assuming low pH or anoxics conditions.
! For cadmium:
! The background mixing ratio was used from Table 3 in Su, C., Jiang, L.,and Zhang, W.,
! A review on heavy metal contamination in the soil worldwide: Situation, impact and
! remediation techniques, Environmental Skeptics and Critics, 2014, 3(2): 24-38.
! The table reviews worldwide cultivation soils.
! For mercury:
! Table 2 in D. Obrist et al., A synthesis of terrestrial mercury in the western United States:
! Spatial distribution defined by land cover and plant productivity, Science of the Total Environment,
! 568, 2016, 522–535.
! Factors were based on mixing ratios for barren and cultivated land cover type
! Speciation factors between j and k modes were assumed constant because no data was found.
C maximum number of chemical species in windblown dust aerosol
Integer, Parameter :: ndust_list = 26
Integer :: ndust_spc
Type( emis_table ) :: dust_spc_list( ndust_list ) = (/
C --description-- -------- name -------- -------- spcfac --------
C Aitken accum coarse Aitken accum coarse
& emis_table( 'Sulfate ', (/' ','ASO4J ','ASO4K '/), (/ 0.0, 0.02250, 0.02655/) ), ! Sulfate
& emis_table( 'Nitrate ', (/' ','ANO3J ','ANO3K '/), (/ 0.0, 0.00020, 0.00160/) ), ! Nitrate
& emis_table( 'Chlorine ', (/' ','ACLJ ','ACLK '/), (/ 0.0, 0.00945, 0.01190/) ), ! Chlorine
& emis_table( 'Ammonium ', (/' ','ANH4J ',' '/), (/ 0.0, 0.00005, 0.0 /) ), ! Ammonium
& emis_table( 'Sodium ', (/' ','ANAJ ',' '/), (/ 0.0, 0.03935, 0.0 /) ), ! Sodium
& emis_table( 'Calcium ', (/' ','ACAJ ',' '/), (/ 0.0, 0.07940, 0.0 /) ), ! Calcium
& emis_table( 'Magnesium ', (/' ','AMGJ ',' '/), (/ 0.0, 0.01900, 0.0 /) ), ! Magnesium
& emis_table( 'Potassium ', (/' ','AKJ ',' '/), (/ 0.0, 0.03770, 0.0 /) ), ! Potassium
& emis_table( 'Org. Carbon ', (/' ','APOCJ ',' '/), (/ 0.0, 0.01075, 0.0 /) ), ! Organic Carbon
& emis_table( 'NonCarbon Org.', (/' ','APNCOMJ ',' '/), (/ 0.0, 0.00430, 0.0 /) ), ! Non-Carbon Organic Matter
& emis_table( 'Black Carbon ', (/' ','AECJ ',' '/), (/ 0.0, 0.0, 0.0 /) ), ! Black or Elemental Carbon
& emis_table( 'Iron ', (/' ','AFEJ ',' '/), (/ 0.0, 0.03355, 0.0 /) ), ! Iron
& emis_table( 'Aluminum ', (/' ','AALJ ',' '/), (/ 0.0, 0.05695, 0.0 /) ), ! Aluminum
& emis_table( 'Silcon ', (/' ','ASIJ ',' '/), (/ 0.0, 0.19425, 0.0 /) ), ! Silicon
& emis_table( 'Titanum ', (/' ','ATIJ ',' '/), (/ 0.0, 0.00280, 0.0 /) ), ! Titanium
& emis_table( 'Manganese ', (/' ','AMNJ ',' '/), (/ 0.0, 0.00115, 0.0 /) ), ! Manganese
& emis_table( 'Water ', (/' ','AH2OJ ','AH2OK '/), (/ 0.0, 0.00541, 0.00637/) ), ! Water
& emis_table( 'Undefined Mass', (/' ','AOTHRJ ',' '/), (/ 0.0, 0.48319, 0.0 /) ), ! Other
& emis_table( 'Non-Anion Dust', (/' ',' ','ASOIL '/), (/ 0.0, 0.0, 0.95358/) ), ! Non-Anion Dust
& emis_table( 'Air Toxics Mn ', (/' ','AMN_HAPSJ','AMN_HAPSK'/), (/ 0.0, 0.00041, 0.00041/) ), ! Air toxics Manganese J and K mode
& emis_table( 'Nickel ', (/' ','ANIJ ','ANIK '/), (/ 0.0, 2.0E-05, 2.0E-05/) ), ! Nickel J and K mode
& emis_table( 'Chromium III ', (/' ','ACR_IIIJ ','ACR_IIIK '/), (/ 0.0, 5.6E-05, 5.6E-05/) ), ! Trivalent Chromium J and K mode
& emis_table( 'Arsenic ', (/' ','AASJ ','AASK '/), (/ 0.0, 5.5E-06, 5.5E-06/) ), ! Arsenic J and K mode
& emis_table( 'Lead ', (/' ','APBJ ','APBK '/), (/ 0.0, 1.6E-05, 1.6E-05/) ), ! Lead J and K mode
& emis_table( 'Cadmium ', (/' ','ACDJ ','ACDK '/), (/ 0.0, 9.7E-08, 9.7E-08/) ), ! Cadmium J and K mode
& emis_table( 'Mercury ', (/' ','APHGJ ','APHGK '/), (/ 0.0, 1.4E-08, 1.4E-08/) ) /) ! Mercury J and K mode
Type( emis_table ), Allocatable :: dust_spc( : )
C Sea-Salt Speciation factors based on seawater composition:
! For toxic metal species, Use Table 1 in K.W. Bruland and M.C. Lohan, 6.02 - Controls of Trace Metals in Seawater,
! In Treatise on Geochemistry, edited by Heinrich D. Holland and Karl K. Turekian, Pergamon, Oxford, 2003, Pages 23-47,
! ISBN 9780080437514, http://dx.doi.org/10.1016/B0-08-043751-6/06105-3.
C number of chemical species in seawater aerosol composition
integer, parameter :: nsea_spc = 15
Type( emis_table ), Parameter :: sea_spc( nsea_spc ) = (/
C -description-- -------- name -------- -------- spcfac --------
C Aitken accum coarse Aitken accum coarse
& emis_table( 'Sulfate ', (/' ','ASO4J ','ASO4K '/), (/ 0.0, 0.07760, 0.07760/) ), ! Sulfate
& emis_table( 'Chlorine ', (/' ','ACLJ ','ACLK '/), (/ 0.0, 0.55380, 0.55380/) ), ! Chlorine
& emis_table( 'Sodium ', (/' ','ANAJ ',' '/), (/ 0.0, 0.30860, 0.0 /) ), ! Sodium
& emis_table( 'Calcium ', (/' ','ACAJ ',' '/), (/ 0.0, 0.01180, 0.0 /) ), ! Calcium
& emis_table( 'Magnesium ', (/' ','AMGJ ',' '/), (/ 0.0, 0.03680, 0.0 /) ), ! Magnesium
& emis_table( 'Potassium ', (/' ','AKJ ',' '/), (/ 0.0, 0.01140, 0.0 /) ), ! Potassium
& emis_table( 'SeaSalt_Cation', (/' ',' ','ASEACAT '/), (/ 0.0, 0.0 , 0.36860/) ), ! Sea-Salt Cations
& emis_table( 'Chromium IV ', (/' ','ACR_VIJ ','ACR_VIK '/), (/ 0.0, 5.95E-9, 5.95E-9/) ), ! accumaltion and coarse mode Hexavalent Chromium
& emis_table( 'Nickel ', (/' ','ANIJ ','ANIK '/), (/ 0.0, 1.34E-8, 1.34E-8/) ), ! accumaltion and coarse mode Nickle
& emis_table( 'Arsenic ', (/' ','AASJ ','AASK '/), (/ 0.0, 4.93E-8, 4.93E-8/) ), ! accumaltion and coarse mode Arsenic
& emis_table( 'Beryllium ', (/' ','ABEJ ','ABEK '/), (/ 0.0, 5.2E-11, 5.2E-11/) ), ! accumaltion and coarse mode Beryllium
& emis_table( 'Mercury ', (/' ','APHGJ ','APHGK '/), (/ 0.0, 5.8E-11, 5.8E-11/) ), ! accumaltion and coarse mode Mercury
& emis_table( 'Lead ', (/' ','APBJ ','APBK '/), (/ 0.0, 6.0E-11, 6.0E-11/) ), ! accumaltion and coarse mode Lead
& emis_table( 'Cadmium ', (/' ','ACDJ ','ACDK '/), (/ 0.0, 1.93E-9, 1.93E-9/) ), ! accumaltion and coarse mode cadmium
& emis_table( 'Air Toxics Mn ', (/' ','AMN_HAPSJ','AMN_HAPSK'/), (/ 0.0, 4.7E-11, 4.7E-11/) ) /) ! accumaltion and coarse mode Air toxics Manganese
Real, Allocatable, Save :: aerospc_ssf( :,: )
C Constants used in other routines:
Real( 8 ), Parameter :: asoil_renorm = 1.0D0 - 0.04642D0 ! = 0.95358, same as ASOIL speciation factor in the dust_spc table above
Real( 8 ), Parameter :: ascat_na_fac = 0.8373D0 ! coarse sea-salt NA cation
Real( 8 ), Parameter :: asoil_na_fac = 0.0626D0 ! for NA in windblown dust
Real( 8 ), Parameter :: acors_na_fac = 0.0023D0 ! for NA in anthropogenic coarse
Real( 8 ), Parameter :: ascat_mg_fac = 0.0997D0 ! coarse sea-salt MG cation
Real( 8 ), Parameter :: asoil_mg_fac = 0.0170D0 ! for MG in windblown dust
Real( 8 ), Parameter :: acors_mg_fac = 0.0032D0 ! for MG in anthropogenic coarse
Real( 8 ), Parameter :: ascat_k_fac = 0.0310D0 ! coarse sea-salt K cation
Real( 8 ), Parameter :: asoil_k_fac = 0.0242D0 ! for K in windblown dust
Real( 8 ), Parameter :: acors_k_fac = 0.0176D0 ! for K in anthropogenic coarse
Real( 8 ), Parameter :: ascat_ca_fac = 0.0320D0 ! coarse sea-salt CA cation
Real( 8 ), Parameter :: asoil_ca_fac = 0.0838D0 ! for CA in windblown dust
Real( 8 ), Parameter :: acors_ca_fac = 0.0562D0 ! for CA in anthropogenic coarse
Real( 8 ), Parameter :: asoil_fe_fac = 0.02695D0 ! for FE in dust*
Real( 8 ), Parameter :: acors_fe_fac = 0.0467D0 ! for FE in anthropogenic coarse
Real( 8 ), Parameter :: asoil_mn_fac = 0.00075D0 ! for MN in dust*
Real( 8 ), Parameter :: acors_mn_fac = 0.0011D0 ! for MN in anthropogenic coarse
C Coarse mode PMC speciation based on anthopogenic inventory composite from various
C sources (G. Pouliot - private communication):
Real( 8 ), Parameter :: acorsem_aso4_fac = 0.00100D0
Real( 8 ), Parameter :: acorsem_ano3_fac = 0.00048D0
Real( 8 ), Parameter :: acorsem_acl_fac = 0.00145D0
Real( 8 ), Parameter :: acorsem_ah2o_fac = 0.00032D0
Real( 8 ), Parameter :: acors_renorm = 1.0D0
& - acorsem_aso4_fac
& - acorsem_ano3_fac
& - acorsem_acl_fac
& - acorsem_ah2o_fac
C Required species
Character( 16 ), Private, Parameter :: req_so4 = 'ASO4'
Character( 16 ), Private, Parameter :: req_no3 = 'ANO3'
Character( 16 ), Private, Parameter :: req_cl = 'ACL'
Character( 16 ), Private, Parameter :: req_nh4 = 'ANH4'
Character( 16 ), Private, Parameter :: req_na = 'ANA'
Character( 16 ), Private, Parameter :: req_mg = 'AMG'
Character( 16 ), Private, Parameter :: req_k = 'AK'
Character( 16 ), Private, Parameter :: req_ca = 'ACA'
Character( 16 ), Private, Parameter :: req_fe = 'AFE'
Character( 16 ), Private, Parameter :: req_mn = 'AMN'
Character( 16 ), Private, Parameter :: req_poc = 'APOC'
Character( 16 ), Private, Parameter :: req_ncom = 'APNCOM'
Character( 16 ), Private, Parameter :: req_h2o = 'AH2O'
Character( 16 ), Private, Parameter :: req_h3op = 'AH3OP'
Character( 16 ), Private, Parameter :: req_soil = 'ASOIL'
Character( 16 ), Private, Parameter :: req_cors = 'ACORS'
Character( 16 ), Private, Parameter :: req_seacat = 'ASEACAT'
C Indices of required species
Integer :: aso4_idx
Integer :: ano3_idx
Integer :: acl_idx
Integer :: anh4_idx
Integer :: ana_idx
Integer :: amg_idx
Integer :: ak_idx
Integer :: aca_idx
Integer :: afe_idx
Integer :: amn_idx
Integer :: apoc_idx
Integer :: apncom_idx
Integer :: ah2o_idx
Integer :: ah3op_idx
Integer :: asoil_idx
Integer :: acors_idx
Integer :: aseacat_idx
C Flag if optional species present
Logical :: ae6isoa = .False.
Logical :: ae6hg = .False.
C Optional Species
Character( 16 ), Private, Parameter :: req_ietet = 'AIETET'
Character( 16 ), Private, Parameter :: req_ieos = 'AIEOS'
Character( 16 ), Private, Parameter :: req_dim = 'ADIM'
Character( 16 ), Private, Parameter :: req_imga = 'AIMGA'
Character( 16 ), Private, Parameter :: req_imos = 'AIMOS'
Character( 16 ), Private, Parameter :: req_phgj = 'APHGJ'
C Indices of Optional species
Integer :: aietet_idx = 0
Integer :: aieos_idx = 0
Integer :: adim_idx = 0
Integer :: aimga_idx = 0
Integer :: aimos_idx = 0
Integer :: aphgj_idx = 0
Real, Allocatable :: aerospc_mw( : ) ! aero species M.W. (from AE_SPC Namelist) [ g/mol ]
Real, Allocatable :: aerospc_conc( :,: ) ! aero species concentration [ ug/m^3 ]
C Common factors
Real( 8 ) :: h2ofac ! converts mass concentrations [ug/m3] to 3rd moment concentrations [m3/m3]
C-------------------------------------------------------------------------------------------------------
Type mode_type
Character( 16 ) :: num_name ! name of aerosol number variable
Character( 16 ) :: srf_name ! name of aerosol surface area variable
Real :: min_numconc ! minimum number concentration
Real :: min_m2conc ! minimum 2nd moment concentration
Real :: min_m3conc ! minimum 3rd moment concentration
End Type mode_type
Type ( mode_type ), Parameter :: aeromode( n_mode ) = (/
C number surface minimum minimum minimum
C name name numconc m2conc m3conc
C ---------- ------- -------- ------- ------
& mode_type('NUMATKN', 'SRFATKN', conmin, conmin, conmin),
& mode_type('NUMACC ', 'SRFACC ', conmin, conmin, conmin),
& mode_type('NUMCOR ', 'SRFCOR ', conmin, conmin, conmin)/)
Real :: moment0_conc( n_mode ) ! 0th moment concentration
Real :: moment2_conc( n_mode ) ! 2nd moment concentration
Real :: moment3_conc( n_mode ) ! 3rd moment concentration
Logical, save :: wet_moments_flag ! T if M2 and M3 are wet, F otherwise
C Mass concentration (calculated by GETPAR)
Real :: aeromode_mass( n_mode ) ! [ ug/m^3 ]
C Particle density (calculated by GETPAR)
Real :: aeromode_dens( n_mode ) ! [ kg/m^3 ]
C Geometric mean diameter (calculated by GETPAR)
Real :: aeromode_diam( n_mode ) ! [ m ]
C Log of geometric standard deviation (calculated by GETPAR )
Real :: aeromode_lnsg( n_mode )
C Minimum number (calculated in map_aero routine)
Real :: aeromode_minNum( n_mode )
C Minimum 2nd moment (calculated in map_aero routine)
Real :: aeromode_minM2( n_mode )
C Mapping for loading from and unloading to CGRID array
Integer, Allocatable :: aerospc_map( :,: ) ! indices of aero species to CGRID
Integer, Allocatable :: aeronum_map( : ) ! indices of aero number variable to CGRID
Integer, Allocatable :: aerosrf_map( : ) ! indices of aero surf area variable to CGRID
C Missing aerosol species map
Logical, Allocatable :: aero_missing( :,: ) ! indices of aero species to CGRID
C Emissions mapping
Integer :: n_emis_pm ! number of aerospc with emissions
Integer, Allocatable :: pmem_map( : ) ! mapping to aerospc array for PM emissions
Character( 16 ), Allocatable :: pmem_map_name( : )! mapping to aerospc array for PM emissions
Character( 16 ) :: pmem_units ! units for PM emissions for all species
Logical, Save :: V51_SOA_mechanism = .False. !
Logical, Save :: AE_eflag = .False. ! error flag for AERO_DATA
C IC/BC Correction Mapping
!The following vectors store masks of the aerosol species
!identities. For example, LBCNUM stores 1's for every species that
!represents an aerosol number concentration and 0's otherwise.
! LBCNUM - Number Concentration
! LBCSURF - Surface Area Concentration
! LBCMASS - Mass Concentration
! LBCMODE - Mask for each aerosol mode
LOGICAL, ALLOCATABLE, SAVE :: LBCNUM(:), LBCSRF(:), LBCMASS(:),
& LBCMODE(:,:)
REAL, ALLOCATABLE, SAVE :: AEROCGRID_RHOINV( : ) !
C Private variables for loading from and unloading to CGRID array
Logical, Private, Save :: mapped = .False.
Character( 16 ), Private, Save :: pname = 'Aero_Data'
Contains
C-----------------------------------------------------------------------
Subroutine map_aero()
C Defines aerosol mapping from CGRID for species concentration and moments.
C Revision History:
C First version was coded in April 2010 by Steve Howard with
C Prakash Bhave, Jeff Young, and Sergey Napelenok.
C HS 01/24/11 Renamed AORGPA as POC for AERO6
C GS 03/02/11 Find new req`d species for AERO6 (Mg, K, Ca)
C HS 03/10/11 Get index for new required species, PNCOM
C JY 03/22/16 Get index for new required species: Fe, Mn (aqchem)
C HOTP 05/11/16 Add IEPOX derived species
C-----------------------------------------------------------------------
Use rxns_data ! chemical mechanism data
Use cgrid_spcs ! CGRID mechanism species
Use aeromet_data
Use utilio_defn
Implicit None
C Local Variables:
Character( 256 ) :: xmsg
Character( 256 ) :: xmsg2
Real :: mole_weight( n_aerolist )
Integer :: aerolist_map ( n_aerolist,n_mode )
Integer :: aerospc_tolist( n_aerolist )
Integer, Allocatable :: aerospc_in_dustlist( : )
Integer l, m, n, spc, isea, idust
Real so4fac
Real anthfac
Real dust_POC ! dust scale factor for Primary Organic Carbon
Real dust_PNC ! dust scale factor for Primary Non-Carbon aerosol
Real dust_POA ! scale factor for Semivolatile POA in dust emissions
Real dust_OOA ! scale factor for Semivolatile OOA in dust emissions
Real dust_OMOC ! ratio of Organic Matter to Organic Carbon in dust emissions
Real dust_OC ! ratio of Elmental Oxygen to Carbon in dust emissions
Real POA_OC ! ratio of Elemental Oxygen to Carbon in POA
Real OOA_OC ! ratio of Elemental Oxygen to Carbon in Oxygenated OA
Integer dust_org1, dust_org2
Logical ae6isoa
Logical ae6hg
Logical dust_match
If ( mapped ) Return
logdev = setup_logdev()
mole_weight = 0.0
n_aerospc = 0 ! Number of Used Aerosol Chemical Species
aerolist_map = 0 ! Pointer from aerolist to CGRID
aerospc_tolist = 0 ! Pointer from aerospc to aerolist
AE_eflag = .False.
max_l2sg = ( LOG( max_sigma_g ) ) ** 2
min_l2sg = ( LOG( min_sigma_g ) ) ** 2
def_l2sg( : ) = ( LOG( def_sigma_g( : ) ) ) ** 2
allocate( aerocgrid_rhoinv( n_ae_trns ), lbcnum( n_ae_trns ),
& lbcsrf( n_ae_trns ), lbcmass( n_ae_trns ),
& lbcmode( n_mode,n_ae_trns ) )
aerocgrid_rhoinv = 0.
lbcnum = .False.
lbcsrf = .False.
lbcmass= .False.
lbcmode= .False.
C Build mapping to CGRID for each species in the master AeroList
Do spc = 1, n_aerolist
Do m = 1, n_mode ! Loop through modes
If ( aerolist( spc )%name( m )(1:1) .Ne. ' ' ) Then
! This place on the AeroList has a potential species in
! it. Check to see if it is in the namelist
n = index1( aerolist( spc )%name( m ) , n_ae_spc, ae_spc )
If ( n .Ne. 0 ) Then
! Species is in the Master List and on the NameList
If ( .Not. ( Any( aerolist_map( spc,: ) .NE. 0 ) ) ) Then
! Add this species to the map if it does not exist already
n_aerospc = n_aerospc + 1
aerospc_tolist( n_aerospc ) = spc
! Set the Molecular Weight
mole_weight( spc ) = ae_molwt( n )
Else If ( mole_weight( spc ) .Ne. ae_molwt( n ) ) Then
! If the species already exists and the
! molecular weight from this mode on the
! namelist is not matching the standing
! molecular weight, throw an error
xmsg = 'molecular weight of ' // Trim( aerolist(spc )%name( m ) )
& // ' is different from that of the same species'
& // ' in the same or another mode.'
Call m3warn( pname, 0, 0, xmsg )
Write( xmsg,* ) 'New Value(', n, ') = ', ae_molwt( n ),
& 'Expected value(', spc, ')= ', mole_weight( spc )
Call m3warn( pname, 0, 0, xmsg )
AE_eflag = .True.
End If
! Add the map from CGRID to AeroList
aerolist_map( spc,m ) = ae_strt - 1 + n
lbcmode( m,n ) = .True.
If ( .Not. aerolist( spc)%tracer ) lbcmass( n ) = .True.
!Map the CGRID Aerosol Species to their Densities
aerocgrid_rhoinv( n ) = 1.0 / aerolist( spc )%density
End If
End If
End Do
End Do
! Migrate all of the user-requested aerosols from AeroList to
! AeroSpc. Begin by allocating all of the new arrays now that we
! know the value of n_aerospc
Allocate ( aerospc ( n_aerospc ) )
Allocate ( aerospc_mw ( n_aerospc ) )
Allocate ( aerospc_map ( n_aerospc, n_mode ) )
Allocate ( aerospc_conc( n_aerospc, n_mode ) )
Allocate ( aerospc_ssf ( n_mode, n_aerospc ) )
Allocate ( aero_missing( n_aerospc, n_mode ) )
Allocate ( aeronum_map ( n_aerospc ) )
Allocate ( aerosrf_map ( n_aerospc ) )
aerospc_ssf = 0.0
Do spc = 1, n_aerospc ! Loop through user-requested chemical species
l = aerospc_tolist( spc )
aerospc( spc ) = aerolist( l ) ! Map AeroList to AeroSpc
aerospc_mw( spc ) = mole_weight( l )
#ifdef verbose_aero
If( spc .eq. 1 )Write(logdev,99948)
#endif
Do n = 1,n_mode
! Map the Modal-Dependent CGRID Pointers from AeroSpc to AeroList
aerospc_map( spc, n ) = aerolist_map( l, n )
! Map The Sea-Salt Species to the aerospc_ssf Array
Do isea = 1, nsea_spc
Do m = 1, n_mode
If ( sea_spc( isea )%name( m ) .Eq. aerospc( spc )%name( n ) ) Then
aerospc_ssf( n, spc ) = sea_spc( isea )%spcfac( m )
#ifdef verbose_aero
If ( sea_spc( isea )%spcfac( m ) .Lt. conmin )Cycle
Write(logdev,99950)spc,sea_spc( isea )%name( m ),sea_spc( isea )%spcfac( m )
#endif
End If
End Do
End Do
! If a user invokes a chemical species, they should have the
! same modes present as is indicated in the table above.
! Check that this is true.
If ( aerospc( spc )%name( n )(1:) .Ne. ' ' .And.
& aerolist_map( aerospc_tolist( spc ),n ) .Eq. 0 ) Then
AE_eflag = .True.
Write( xmsg,* ) 'FATAL ERROR: Linked set of tracers, ',
& Trim( xmsg2 ),', is missing species, ',
& Trim( aerolist( spc )%name( n ) )
Call m3warn( pname, 0, 0, xmsg )
End If
! Set the Aero_Missing Flag
If ( aerospc( spc )%name( n ) .Ne. ' ' ) Then
aero_missing( spc,n ) = .False.
Else
aero_missing( spc,n ) = .True.
End If
End Do
End Do
C Build mapping to CGRID for aero # and surf area variables
aeronum_map = 0
aerosrf_map = 0
Do m = 1, n_mode
n = index1( aeromode( m )%num_name , n_ae_spc, ae_spc )
If ( n .Eq. 0 ) Then
xmsg = 'Species ' // Trim( aeromode( m )%num_name )
& //' is not in AE namelist'
AE_eflag = .True.
Call m3warn( pname, 0, 0, xmsg )
! Call m3exit( pname, 0, 0, xmsg, xstat3 )
Else
aeronum_map( m ) = ae_strt - 1 + n
aerocgrid_rhoinv( n ) = 1.0
lbcnum( n ) = .True.
lbcmode( m,n ) = .True.
End If
n = index1( aeromode( m )%srf_name , n_ae_spc, ae_spc )
If ( n .Eq. 0 ) Then
xmsg = 'species ' // Trim( aeromode( m )%srf_name )
& // ' is not in AE namelist'
AE_eflag = .True.
Call m3warn( pname, 0, 0, xmsg )
! Call m3exit( pname, 0, 0, xmsg, xstat3 )
Else
aerosrf_map( m ) = ae_strt - 1 + n
aerocgrid_rhoinv( n ) = 1.0
lbcsrf( n ) = .True.
lbcmode( m,n ) = .True.
End If
End Do
C Find indices of required species
aso4_idx = findAero( req_so4, .True. )
ano3_idx = findAero( req_no3, .True. )
acl_idx = findAero( req_cl, .True. )
anh4_idx = findAero( req_nh4, .True. )
ana_idx = findAero( req_na, .True. )
amg_idx = findAero( req_mg, .True. )
ak_idx = findAero( req_k, .True. )
aca_idx = findAero( req_ca, .True. )
afe_idx = findAero( req_fe, .True. )
amn_idx = findAero( req_mn, .True. )
ah2o_idx = findAero( req_h2o, .True. )
ah3op_idx = findAero( req_h3op, .True. )
asoil_idx = findAero( req_soil, .True. )
acors_idx = findAero( req_cors, .True. )
aseacat_idx = findAero( req_seacat, .True. )
If ( Index( mechname, 'NVPOA' ) .Eq. 0 ) Then
apoc_idx = findAero( 'ALVPO1 ', .True. )
apncom_idx = 0
Else
apoc_idx = findAero( req_poc, .True. )
apncom_idx = findAero( req_ncom, .True. )
End If
If ( Index( mechname, 'SAPRC07TIC_AE6I' ) .Gt. 0 ) Then
ae6isoa = .True.
aietet_idx = findAero( req_ietet, ae6isoa )
aieos_idx = findAero( req_ieos, ae6isoa )
adim_idx = findAero( req_dim, ae6isoa )
aimga_idx = findAero( req_imga, ae6isoa )
aimos_idx = findAero( req_imos, ae6isoa )
Else
aietet_idx = 0
aieos_idx = 0
adim_idx = 0
aimga_idx = 0
aimos_idx = 0
ae6isoa = .False.
End If
aphgj_idx = findAero( req_phgj, .False. )
If ( aphgj_idx .Gt. 0 ) Then
ae6hg = .True.
Else
aphgj_idx = 0
ae6hg = .False.
End If
C Adjust Dust Emissions list for Organic Species, if running with semivolatile POA
If ( Index( mechname, 'NVPOA' ) .Eq. 0 ) Then
! Find Indices for Nonvolatile Organics
Do idust = 1, ndust_list
If ( Index( dust_spc_list( idust )%name( 2 ), 'APOCJ' ) .Gt. 0 ) dust_org1 = idust
If ( Index( dust_spc_list( idust )%name( 2 ), 'APNCOMJ') .Gt. 0 ) dust_org2 = idust
End Do
! Compute Total Organic Dust Scale Factor and O:C Ratio
! The dust OM:OC should equal 1.4 if it consistent with Simon and Bhave (2011).
dust_POC = dust_spc_list( dust_org1 )%spcfac( 2 )
dust_PNC = dust_spc_list( dust_org2 )%spcfac( 2 )
dust_OMOC = ( dust_POC + dust_PNC ) / dust_POC
dust_OC = 12.0 / 15.0 * dust_OMOC - 14.0 / 15.0
! Distribute Dust Organic Speciation between Volatility-Based Surrogates.
! These hard-coded values can be generalized once O:C information is
! incoporated directly into the internal OA species table.
POA_OC = 0.1853 ! O:C Ratio of LVPOA1
OOA_OC = 0.7106 ! O:C Ratio of LVOOA2
dust_OC = Max( dust_OC, POA_OC )
dust_POA = 1.0 / ( 1.0 + ( dust_OC - POA_OC ) / ( OOA_OC - dust_OC ) )
dust_OOA = 1.0 / ( 1.0 + ( dust_OC - OOA_OC ) / ( POA_OC - dust_OC ) )
! Assign new names and speciation to dust table
dust_spc_list( dust_org1 )%name( 2 ) = 'ALVPO1J'
dust_spc_list( dust_org2 )%name( 2 ) = 'ALVOO2J'
dust_spc_list( dust_org1 )%spcfac( 2 ) = dust_POA * ( dust_POC + dust_PNC )
dust_spc_list( dust_org2 )%spcfac( 2 ) = dust_OOA * ( dust_POC + dust_PNC )
End If
! Determine map between aero_spc dust emissions and the dust emission listndust_spc
Allocate( aerospc_in_dustlist( n_aerolist ) )
aerospc_in_dustlist = 0 ! Pointer identifies to use dust emission table
ndust_spc = 0
Do spc = 1, n_aerospc ! Loop through user-requested chemical species
Do idust = 1, ndust_list ! loop through dust list
#ifdef verbose_aero
xmsg = ' '
#endif
dust_match = .False.
Do m = 1, n_mode
If( aero_missing(spc,m) )Cycle
If ( dust_spc_list( idust )%name( m ) .Eq. aerospc( spc )%name( m ) ) Then
#ifdef verbose_aero
Select Case( m )
Case( 1 )
xmsg = 'Aitken'
Case( 2 )
xmsg = Trim( xmsg ) // ' Accum.'
Case( 3 )
xmsg = Trim( xmsg ) // ' Coarse'
End Select
#endif
dust_match = .True.
End If
End Do
If( dust_match )Then
ndust_spc = ndust_spc + 1
aerospc_in_dustlist( ndust_spc ) = idust
#ifdef verbose_aero
Write( logdev,'(a,1x,a)')'Dust Emissions Added to ',
& Trim( dust_spc_list( ndust_spc )%description ) // ' '
& // Trim( xmsg ) // ' mode(s)'
#endif
End If
End Do
End Do
If( ndust_spc .Gt. 0 )Then
! build dust_spc type from selected list elements
Allocate( dust_spc( ndust_spc ) )
n = 0
#ifdef verbose_aero
Write(logdev,99949)
#endif
Do spc = 1, ndust_spc
idust = aerospc_in_dustlist( spc )
dust_spc( spc ) = dust_spc_list( idust )
Do m = 1, n_mode
If( len_trim( dust_spc( spc )%name( m ) ) .lt. 1 )cycle
n = n + 1
#ifdef verbose_aero
Write(logdev,99950)n,dust_spc( spc )%name( m ),dust_spc( spc )%spcfac( m )
#endif
End Do
End Do
End If
#ifdef verbose_aero
99948 Format(/ '_I_',1X,'Aero_Species____','SeaSalt_Emiss_Speciation')
99949 Format(/ '_I_',1X,'Aero_Species____','Dust_Emiss_Speciation')
99950 Format(i3,1X,a16,11X,es12.4)
#endif
Deallocate( aerospc_in_dustlist )
#ifdef verbose_aero
! Mandatory Species
Write( logdev,'( /5x, a )' ) 'map_aero required species'
Write( logdev,'( 5x, a, i4 )' ) 'aso4_idx: ', aso4_idx
Write( logdev,'( 5x, a, i4 )' ) 'ano3_idx: ', ano3_idx
Write( logdev,'( 5x, a, i4 )' ) 'acl_idx: ', acl_idx
Write( logdev,'( 5x, a, i4 )' ) 'anh4_idx: ', anh4_idx
Write( logdev,'( 5x, a, i4 )' ) 'ana_idx: ', ana_idx
Write( logdev,'( 5x, a, i4 )' ) 'amg_idx: ', amg_idx
Write( logdev,'( 5x, a, i4 )' ) 'ak_idx: ', ak_idx
Write( logdev,'( 5x, a, i4 )' ) 'aca_idx: ', aca_idx
Write( logdev,'( 5x, a, i4 )' ) 'afe_idx: ', afe_idx
Write( logdev,'( 5x, a, i4 )' ) 'amn_idx: ', amn_idx
Write( logdev,'( 5x, a, i4 )' ) 'apoc_idx: ', apoc_idx
Write( logdev,'( 5x, a, i4 )' ) 'ah2o_idx: ', ah2o_idx
Write( logdev,'( 5x, a, i4 )' ) 'ah3op_idx: ', ah3op_idx
Write( logdev,'( 5x, a, i4 )' ) 'asoil_idx: ', asoil_idx
Write( logdev,'( 5x, a, i4 )' ) 'acors_idx: ', acors_idx
Write( logdev,'( 5x, a, i4 )' ) 'apncom_idx: ', apncom_idx
Write( logdev,'( 5x, a, i4 )' ) 'aseacat_idx:', aseacat_idx
If( ae6isoa )Then
Write( logdev,'( 5x, a, i4 )' ) 'aietet_idx: ', aietet_idx
Write( logdev,'( 5x, a, i4 )' ) 'aieos_idx: ', aieos_idx
Write( logdev,'( 5x, a, i4 )' ) 'adim_idx: ', adim_idx
Write( logdev,'( 5x, a, i4 )' ) 'aimga_idx: ', aimga_idx
Write( logdev,'( 5x, a, i4 )' ) 'aimos_idx: ', aimos_idx
End If
If ( ae6hg ) Then
Write( logdev,'( 5x, a, i4 )' ) 'aphgj_idx: ', aphgj_idx
Else
Write( logdev,'( 5x, a, i4 )' ) 'PHGJ not found so aphgj_idx: ', aphgj_idx
End If
#endif
C Compute common factors
h2ofac = 1.0D-9 * f6dpi / Real( aerospc( ah2o_idx )%density, 8 )
C compute aeromode_minNum and aeromode_minM2
so4fac = 1.0E-9 * Real( f6dpi, 4 ) / aerospc( aso4_idx )%density
anthfac = 1.0E-9 * Real( f6dpi, 4 ) / aerospc( acors_idx )%density
Do m = 1, n_mode
If ( m .Lt. n_mode ) Then
aeromode_minNum( m ) = so4fac * aerospc( aso4_idx )%min_conc( m ) /
& ( def_diam( m )**3 * Exp( 4.5 * Log( def_sigma_g( m ) )**2 ) )
Else
aeromode_minNum( m ) = anthfac * aerospc( acors_idx )%min_conc( m ) /
& ( def_diam( m )**3 * Exp( 4.5 * Log( def_sigma_g( m ) )**2 ) )
End If