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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:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
Module aero_data
C Defines aerosol species arrays and the parameters required in aerosol
C processing.
C Contains:
C Subroutine map_aero
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; BM = Ben Murphy; BH = Bill Hutzell, NS = Nash Skipper
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 split into small and large modes.
C visual_idx for ammonium 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 HOTP 7/17/2018 Added kappaorg hygroscopicity parameter (Petters and
C Kreidenweis 2007 ACP) for organic aerosols. kappa should be zero for
C species that are not organic. Water uptake onto inorganics calculated using ISORROPIA.
C POC+NCOM kappa is set to zero and calculated in SOA_DEFN if those species are in use.
C Current kappaorg values are based on species specific
C OM/OC ratios (Pye et al. 2017 ACP).
C GS 08/17/81 Added bromide in seasalt
C SR 12/14/2018 Added sulfur tracking option
C SLN 12/30/2019 ddm-3d implementaiton for v 5.3.1
C 10 Mar 2021 G. Sarwar: Changed CB6R3M_AE7_KMTBR to CB6R3M_AE7_AQ
C 10 June 2021 G. Sarwar: Added CB6R5M_AE7_AQ
C 23 Jun 21 G. Sarwar: Replaced CB6R3M with CB6R5M
C NS 11/28/2023 CRACMM2 updates
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----------------------------------------------------------------------
USE RUNTIME_VARS
Use utilio_defn
#ifdef sens
USE DDM3D_DEFN, ONLY : NP, NPMAX
Use aero_ddm3d, ONLY : s_aerospc_conc, ae_ddm3d_ready,
& init_aero_ddm3d
#endif
Implicit None
C Define Logical values as T and F for the aerospc table
Logical, Parameter, Private :: T = .true.
Logical, Parameter, Private :: F = .false.
C Number of aerosol species and modes
Integer, Parameter :: n_aerolist = 139 ! number of aero species
Integer, Parameter :: n_mode = 3 ! number of modes:
Integer, Parameter :: iait = 1 ! 1 = Aitken
Integer, Parameter :: iacc = 2 ! 2 = accumulation
Integer, Parameter :: icor = 3 ! 3 = coarse
Logical, Parameter :: reqd_modes( n_mode ) = (/ T,T,T /)
Character(1), Parameter :: modesuff( n_mode ) = (/ 'I','J','K' /)
Integer, Save :: n_aerospc ! number of aero species
C Default minimum concentration
Real, Parameter :: conmin = 1.0E-23 ! [ ug m-3 ]
Real(8), Parameter :: conminD = 1.0D-23 ! [ 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 ) = (/conmin, conmin, conmin/)
Real, Parameter :: cm_cor( n_mode ) = (/conmin, conmin, conmin/)
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_dg_dry( n_mode ) = (/ 1.0E-9, 30.0E-9, 120.0E-9 /)
Real, Parameter :: max_dg_dry( n_mode ) = (/ 80.0E-9, 500.0E-9, 100.0E-6 /)
Real, Parameter :: min_dg_wet( n_mode ) = (/ 1.0E-9, 30.0E-9, 120.0E-9 /)
Real, Parameter :: max_dg_wet( n_mode ) = (/ 160.0E-9,1500.0E-9,300.0E-6 /)
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 If FIXED_sg = T, atkn & accum std. dev. are not changed by GETPAR
C If FIXED_sg = F, the second moment will be adjusted if the standard
C deviation (sigma_g) is outside of the bounds specified
C by min_sigma_g and max_sigma_g.
LOGICAL, PARAMETER :: FIXED_sg = .FALSE.
C Flag to obtain coagulation coefficients
C by analytical approximation (True) or by Gauss-Hermite quadrature (False)
Logical, Parameter :: fastcoag_flag = .True.
Integer, Parameter :: coag_moments = 2 ! Number of moments to consider
! for coagulation
! 2 = number and volume
! 3 = number, volume, and surface area
C-------------------------------------------------------------------------------------------------------
Type spcs_type
Character( 16 ) :: name( n_mode ) ! mode-dependent names of aerosol species
Character( 16 ) :: bulkname ! mode-independent names of aerosol species
Logical :: lait ! Available in Aitken Mode
Logical :: lacc ! Available in Accumulation Mode
Logical :: lcor ! Available in Coarse Mode
Real :: min_conc( n_mode ) ! minimum concentration values for each mode
Real :: density ! density [ kg m-3 ]
Character( 16 ) :: gasname ! Gas species in equilibrium with this aerosol component
Character( 16 ) :: ctrname ! Rxn Counter Species used to calculate production of
! this component if irreversible partitioning is assumed
Real :: ctr_yield ! Yield of Reaction Counter when forming condensed mass
Character( 3 ) :: voltype ! Type of production to be implemented for this species.
! Options are: REV = Reversible, IRV = Irreversible,
! NVL = Nonvolatile
Logical :: no_M2Wet ! flag to exclude from 2nd moment during transport
Logical :: tracer ! tracer flag; does have not mass
Integer :: charge ! electroneutrality charge
Real :: visual_idx ! visual index factor [ m2 g-1 ]
Real :: visual_idx_large ! visual index factor [ m2 g-1 ] for large mode, if not applicable, same value as visual_idx
Logical :: om ! flag for organic aerosols
Character( 16 ) :: optic_surr ! optical surrogate name
Real :: kappaorg ! hygroscopicity parameter for organic aerosol (excluding POC+NCOM which must be calculated)
End Type spcs_type
Type( spcs_type ), Allocatable, Save :: aerospc ( : )
! Master List of Aerosol Species and Properties
Type spcs_list_type
Character( 16 ) :: bulkname ! mode-independent names of aerosol species
Logical :: lait ! Available in Aitken Mode
Logical :: lacc ! Available in Accumulation Mode
Logical :: lcor ! Available in Coarse Mode
Real :: min_conc( n_mode ) ! minimum concentration values for each mode
Real :: density ! density [ kg m-3 ]
Character( 16 ) :: gasname ! Gas species in equilibrium with this aerosol component
Character( 16 ) :: ctrname ! Rxn Counter Species used to calculate production of
! this component if irreversible partitioning is assumed
Real :: ctr_yield ! Yield of Reaction Counter when forming condensed mass
Character( 3 ) :: voltype ! Type of production to be implemented for this species.
! Options are: REV = Reversible, IRV = Irreversible,
! NVL = Nonvolatile
Logical :: no_M2Wet ! flag to exclude from 2nd moment during transport
Logical :: tracer ! tracer flag; does have not mass
Integer :: charge ! electroneutrality charge
Real :: visual_idx ! visual index factor [ m2 g-1 ]
Real :: visual_idx_large ! visual index factor [ m2 g-1 ] for large mode, if not applicable, same value as visual_idx
Logical :: om ! flag for organic aerosols
Character( 16 ) :: optic_surr ! optical surrogate name
Real :: kappaorg ! hygroscopicity parameter for organic aerosol (excluding POC+NCOM which must be calculated)
End Type spcs_list_type
Type( spcs_list_type ), Parameter :: aerolist( n_aerolist ) = (/
C Visidx_Large
C no_M2Wet Tracer |
C | | Charge | OM
C Name T A C Min_Con Density Gas-Name CTR-Name Yield Vol | | | Visidx | | OptSurr korg
C ---------- - - - ------- ------- ---------- --------- ----- ----- + + + ------ --- + -------- -----
& spcs_list_type('ASO4 ',T,T,T, cm_so4, 1800.0, 'SULF ','SULRXN ',1.0 ,'IRV',F,F, -2, 2.2, 4.8,F, 'SOLUTE', 0.00), ! Sulfate
& spcs_list_type('ANO3 ',T,T,T, cm_set, 1800.0, 'HNO3 ',' ',0.0 ,'REV',F,F, -1, 2.4, 5.1,F, 'SOLUTE', 0.00), ! Nitrate
& spcs_list_type('ACL ',T,T,T, cm_set, 2200.0, 'HCL ',' ',0.0 ,'REV',F,F, -1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! Chloride
& spcs_list_type('ANH4 ',T,T,T, cm_set, 1800.0, 'NH3 ',' ',0.0 ,'REV',F,F, 1, 0.0, 0.0,F, 'SOLUTE', 0.00), ! Ammonium
& spcs_list_type('ANA ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! Sodium
& spcs_list_type('AMG ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 2, 1.0, 1.0,F, 'DUST ', 0.00), ! Magnesium
& spcs_list_type('AK ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 1, 1.0, 1.0,F, 'DUST ', 0.00), ! Potassium
& spcs_list_type('ACA ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 2, 1.0, 1.0,F, 'DUST ', 0.00), ! Calcium
& spcs_list_type('APOC ',T,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.00), ! POA Carbon
& spcs_list_type('APNCOM ',T,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.00), ! POA Non-Carbon #10
& spcs_list_type('AEC ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 10.0,10.0,F, 'SOOT ', 0.00), ! Elemental (Black) Carbon
& spcs_list_type('AFE ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Iron
& spcs_list_type('AOTHR ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Other
& spcs_list_type('AAL ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Aluminum
& spcs_list_type('ASI ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Silicon
& spcs_list_type('ATI ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Titanium
& spcs_list_type('AMN ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Manganese
& spcs_list_type('AH2O ',T,T,T, cm_set, 1000.0, ' ',' ',0.0 ,'H2O',T,F, 0, 0.0, 0.0,F, 'WATER ', 0.00), ! Water
& spcs_list_type('AORGH2O ',F,T,F, cm_set, 1000.0, ' ',' ',0.0 ,'H2O',T,F, 0, 0.0, 0.0,F, 'WATER ', 0.00), ! Organic Water
& spcs_list_type('AH3OP ',T,T,T, cm_set, 1000.0, ' ',' ',0.0 ,'H2O',T,T, 0, 0.0, 0.0,F, 'WATER ', 0.00), ! Hydronium #20
& spcs_list_type('AALK1 ',F,T,F, cm_set, 1400.0, 'SVALK1 ','ALKRXN ',.0334,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), ! Alkane SOA 1
& spcs_list_type('AALK2 ',F,T,F, cm_set, 1400.0, 'SVALK2 ','ALKRXN ',.2164,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.06), ! Alkane SOA 2
& spcs_list_type('AXYL1 ',F,T,F, cm_set, 1480.0, 'SVXYL1 ','XYLNRXN',.0310,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.17), ! Xylene SOA 1
& spcs_list_type('AXYL2 ',F,T,F, cm_set, 1480.0, 'SVXYL2 ','XYLNRXN',.0900,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.11), ! Xylene SOA 2
& spcs_list_type('AXYL3 ',F,T,F, cm_set, 1330.0, ' ','XYLHRXN',.3600,'IRV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Xylene SOA 3
& spcs_list_type('ATOL1 ',F,T,F, cm_set, 1240.0, 'SVTOL1 ','TOLNRXN',.0580,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Toluene SOA 1
& spcs_list_type('ATOL2 ',F,T,F, cm_set, 1240.0, 'SVTOL2 ','TOLNRXN',.1130,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.10), ! Toluene SOA 2
& spcs_list_type('ATOL3 ',F,T,F, cm_set, 1450.0, ' ','TOLHRXN',.3000,'IRV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.20), ! Toluene SOA 3
& spcs_list_type('ABNZ1 ',F,T,F, cm_set, 1400.0, 'SVBNZ1 ','BNZNRXN',.0720,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.19), ! Benzene SOA 1
& spcs_list_type('ABNZ2 ',F,T,F, cm_set, 1400.0, 'SVBNZ2 ','BNZNRXN',.8880,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Benzene SOA 2 #30
& spcs_list_type('ABNZ3 ',F,T,F, cm_set, 1400.0, ' ','BNZHRXN',.3700,'IRV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.23), ! Benzene SOA 3
& spcs_list_type('ATRP1 ',F,T,F, cm_set, 1400.0, 'SVTRP1 ','TRPRXN ',.1393,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.10), ! Terpene SOA 1
& spcs_list_type('ATRP2 ',F,T,F, cm_set, 1400.0, 'SVTRP2 ','TRPRXN ',.4542,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.10), ! Terpene SOA 2
& spcs_list_type('AISO1 ',F,T,F, cm_set, 1400.0, 'SVISO1 ','ISOPRXN',.2320,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.14), ! Isoprene SOA 1
& spcs_list_type('AISO2 ',F,T,F, cm_set, 1400.0, 'SVISO2 ','ISOPRXN',.0288,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Isoprene SOA 2
& spcs_list_type('AISO3 ',F,T,F, cm_set, 1400.0, ' ',' ',.0000,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.21), ! Isoprene SOA 3
& spcs_list_type('ASQT ',F,T,F, cm_set, 1400.0, 'SVSQT ','SESQRXN',1.537,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), ! Sesquiterpene SOA
& spcs_list_type('AHOM ',F,T,F, cm_set, 1400.0, 'HOM ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), ! HOM SOA
& spcs_list_type('AELHOM ',F,T,F, cm_set, 1400.0, 'ELHOM ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.09), ! ELHOM SOA
& spcs_list_type('APAH1 ',F,T,F, cm_set, 1480.0, 'SVPAH1 ','PAHNRXN',0.210,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.08), ! PAH SOA 1
& spcs_list_type('APAH2 ',F,T,F, cm_set, 1480.0, 'SVPAH2 ','PAHNRXN',1.070,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.06), ! PAH SOA 2
& spcs_list_type('APAH3 ',F,T,F, cm_set, 1550.0, ' ','PAHHRXN',0.730,'IRV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.09), ! PAH SOA 3 #40
& spcs_list_type('AOLGA ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.18), ! Anth. Oligomer SOA
& spcs_list_type('AOLGB ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), ! Biogenic Oligomer SOA
& spcs_list_type('AORGC ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.12), ! Cloud-Processed SOA
& spcs_list_type('ASOIL ',F,F,T, cm_set, 2600.0, ' ',' ',0.0 ,'NVL',F,F, 0, 0.6, 0.6,F, 'DUST ', 0.00), ! Soil
& spcs_list_type('ACORS ',F,F,T, cm_cor, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 0.6, 0.6,F, 'DUST ', 0.00), ! Coarse PM
& spcs_list_type('ASEACAT ',F,F,T, cm_cor, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! SeaSpray Cations
! Associated with ae6i
& spcs_list_type('AMTNO3 ',F,T,F, cm_set, 1400.0, 'MTNO3 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.11), ! Monoterpene Nitrate SOA
& spcs_list_type('AISOPNN ',F,T,F, cm_set, 1400.0, 'ISOPNN ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.32), ! Isoprene Nitrate SOA
& spcs_list_type('AMTHYD ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), !
& spcs_list_type('AIETET ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Iso. Tetrol SOA #50
& spcs_list_type('AIEOS ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.30), ! Iso. Organosulfate SOA
& spcs_list_type('ADIM ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), !
& spcs_list_type('AIMGA ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.18), !
& spcs_list_type('AIMOS ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.36), !
! Associated with cracmm1
& spcs_list_type('AISO3NOS',F,T,F,cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15), ! Iso. nonsulfated SOA
& spcs_list_type('AISO3OS ',F,T,F,cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.30), ! Iso. Organosulfate SOA
! Updated monoterpene SOA following Saha and Grieshop ES&T 2016
& spcs_list_type('AMT1 ',F,T,F, cm_set, 1400.0, 'SVMT1 ','TRPRXN ',0.040,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.08), ! MT SOA Lowest Volatility
& spcs_list_type('AMT2 ',F,T,F, cm_set, 1400.0, 'SVMT2 ','TRPRXN ',0.032,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.08), !
& spcs_list_type('AMT3 ',F,T,F, cm_set, 1400.0, 'SVMT3 ','TRPRXN ',0.032,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.09), !
& spcs_list_type('AMT4 ',F,T,F, cm_set, 1400.0, 'SVMT4 ','TRPRXN ',0.103,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), !
& spcs_list_type('AMT5 ',F,T,F, cm_set, 1400.0, 'SVMT5 ','TRPRXN ',0.143,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.07), !
& spcs_list_type('AMT6 ',F,T,F, cm_set, 1400.0, 'SVMT6 ','TRPRXN ',0.285,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.05), ! #60
& spcs_list_type('AMT7 ',F,T,F, cm_set, 1400.0, 'SVMT7 ','TRPRXN ',0.160,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.06), ! MT SOA Highest Volatility
! ae6i and cb6
& spcs_list_type('AGLY ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), ! Glyoxal SOA
! Semivolatile POA
& spcs_list_type('ALVPO1 ',T,T,F, cm_set, 1400.0, 'VLVPO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), ! LV-POA
& spcs_list_type('ASVPO1 ',T,T,F, cm_set, 1400.0, 'VSVPO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), ! SV-POA 1
& spcs_list_type('ASVPO2 ',T,T,F, cm_set, 1400.0, 'VSVPO2 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.04), ! SV-POA 2
& spcs_list_type('ASVPO3 ',F,T,F, cm_set, 1400.0, 'VSVPO3 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), ! SV-POA 3
& spcs_list_type('AIVPO1 ',F,T,F, cm_set, 1400.0, 'VIVPO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), ! IV-POA
& spcs_list_type('ALVOO1 ',T,T,F, cm_set, 1400.0, 'VLVOO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.15), ! LV-SOA 1
& spcs_list_type('ALVOO2 ',T,T,F, cm_set, 1400.0, 'VLVOO2 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.13), ! LV-SOA 2
& spcs_list_type('ASVOO1 ',T,T,F, cm_set, 1400.0, 'VSVOO1 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.11), ! SV-SOA 1 #70
& spcs_list_type('ASVOO2 ',T,T,F, cm_set, 1400.0, 'VSVOO2 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.09), ! SV-SOA 2
& spcs_list_type('ASVOO3 ',F,T,F, cm_set, 1400.0, 'VSVOO3 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.08), ! SV-SOA 3
& spcs_list_type('APCSO ',F,T,F, cm_set, 1400.0, 'LVPCSOG','PCSOARXN',1.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.12), ! pcSOA
! Lumped anthropogenic SOA (introduced aero7, M. Qin, 8/2018)
& spcs_list_type('AAVB1 ',F,T,F, cm_set, 1400.0, 'SVAVB1 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.20),
& spcs_list_type('AAVB2 ',F,T,F, cm_set, 1400.0, 'SVAVB2 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.15),
& spcs_list_type('AAVB3 ',F,T,F, cm_set, 1400.0, 'SVAVB3 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.14),
& spcs_list_type('AAVB4 ',F,T,F, cm_set, 1400.0, 'SVAVB4 ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.12),
! CRACMM SVOCs and LVOCs
& spcs_list_type('AOP3 ',F,T,F,cm_set,1400.0,'OP3 ',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), !
& spcs_list_type('AROCN2ALK ',T,T,F,cm_set,1400.0,'VROCN2ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), !
& spcs_list_type('AROCN1ALK ',T,T,F,cm_set,1400.0,'VROCN1ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.05), !
& spcs_list_type('AROCP0ALK ',T,T,F,cm_set,1400.0,'VROCP0ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.04), !
& spcs_list_type('AROCP1ALK ',T,T,F,cm_set,1400.0,'VROCP1ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), !
& spcs_list_type('AROCP2ALK ',F,T,F,cm_set,1400.0,'VROCP2ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), !
& spcs_list_type('AROCP3ALK ',F,T,F,cm_set,1400.0,'VROCP3ALK',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.03), !
& spcs_list_type('AROCN2OXY2',T,T,F,cm_set,1400.0,'VROCN2OXY2',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.15), !
& spcs_list_type('AROCN2OXY4',T,T,F,cm_set,1400.0,'VROCN2OXY4',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.15), !
& spcs_list_type('AROCN2OXY8',T,T,F,cm_set,1400.0,'VROCN2OXY8',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.15), !
& spcs_list_type('AROCN1OXY1',T,T,F,cm_set,1400.0,'VROCN1OXY1',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.13), !
& spcs_list_type('AROCN1OXY3',T,T,F,cm_set,1400.0,'VROCN1OXY3',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.13), !
& spcs_list_type('AROCN1OXY6',T,T,F,cm_set,1400.0,'VROCN1OXY6',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.13), !
& spcs_list_type('AROCP0OXY2',T,T,F,cm_set,1400.0,'VROCP0OXY2',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.11), !
& spcs_list_type('AROCP0OXY4',T,T,F,cm_set,1400.0,'VROCP0OXY4',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.11), !
& spcs_list_type('AROCP1OXY1',T,T,F,cm_set,1400.0,'VROCP1OXY1',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.09), !
& spcs_list_type('AROCP1OXY3',T,T,F,cm_set,1400.0,'VROCP1OXY3',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.09), !
& spcs_list_type('AROCP2OXY2',F,T,F,cm_set,1400.0,'VROCP2OXY2',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.08), !
& spcs_list_type('AROCP3OXY2',F,T,F,cm_set,1400.0,'VROCP3OXY2',' ',0.0 ,'REV',F,F, 0, 4.0, 6.1,T, 'DUST ', 0.08), !
! The following species are associated with the Multi-Pollutant code
& spcs_list_type('ANI ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Nickel
& spcs_list_type('ACR_VI ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Chromium 6
& spcs_list_type('ACR_III ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Chromium 3 #80
& spcs_list_type('ABE ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Beryllium
& spcs_list_type('APB ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Lead
& spcs_list_type('ADE_OTHR',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Fine PM
& spcs_list_type('ADE_EC ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Black Carbon
& spcs_list_type('ADE_OC ',T,T,F, cm_set, 2000.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Organic Carbon
& spcs_list_type('ADE_NO3 ',F,T,F, cm_set, 1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Nitrate
& spcs_list_type('ADE_SO4 ',F,T,F, cm_set, 1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Sulfate
& spcs_list_type('ADE_CORS',F,F,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Diesel Coarse PM
& spcs_list_type('ACD ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Cadmium
& spcs_list_type('AMN_HAPS',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Manganese #90
& spcs_list_type('APHG ',T,T,T, cm_set, 2200.0, 'HGIIAER','PHGRXN ',1.0 ,'IRV',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Mercury
& spcs_list_type('AAS ',T,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'DUST ', 0.00), ! Arsenic #92
& spcs_list_type('ABENAPY ',T,T,F, cm_set, 1400.0, 'BENAPY ',' ',1.0 ,'REV',F,T, 0, 0.0, 0.0,T, 'DUST ', 0.00), ! Benzo[a]pyrene #93
! The following species are associated with the marine chemistry code
& spcs_list_type('ABR ',F,T,T, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, -1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! Bromide
! Species created for CRACMM
& spcs_list_type('ASOAT ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.13), ! Lumped SOA not otherwise specified, OM/OC=2.1
! The following species are associated with the sulfur tracking model
& spcs_list_type('ASO4AQH2O2',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous H2O2 rxn
& spcs_list_type('ASO4AQO3 ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous O3 rxn
& spcs_list_type('ASO4AQFEMN',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous FEMN cat rxn
& spcs_list_type('ASO4AQMHP ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous MHP rxn
& spcs_list_type('ASO4AQPAA ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous PAA rxn
& spcs_list_type('ASO4GAS ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from gas rxn
& spcs_list_type('ASO4EMIS ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! emitted SO4
& spcs_list_type('ASO4ICBC ',T,T,T,cm_so4,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from ICBCs
! The following species are associated with the sulfur tracking model, representing loss of tracked species to organosulfate
& spcs_list_type('OSO4 ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 loss to organosulfate
& spcs_list_type('OSO4AQH2O2',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous H2O2 rxn loss to organosulfate
& spcs_list_type('OSO4AQO3 ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous O3 rxn loss to organosulfate
& spcs_list_type('OSO4AQFEMN',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous FEMN cat rxn loss to organosulfate
& spcs_list_type('OSO4AQMHP ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous MHP rxn loss to organosulfate
& spcs_list_type('OSO4AQPAA ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from aqueous PAA rxn loss to organosulfate
& spcs_list_type('OSO4GAS ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from gas rxn loss to organosulfate
& spcs_list_type('OSO4EMIS ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from emitted SO4 loss to organosulfate
& spcs_list_type('OSO4ICBC ',T,T,T,cm_set,1800.0, ' ',' ',0.0 ,'NVL',F,T, 0, 0.0, 0.0,F, 'SOLUTE', 0.00), ! SO4 from ICBCs loss to organosulfate
! The following species are associated with CRACMM2
& spcs_list_type('AISO4 ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.21), ! from heterogeneous uptake of IPX
& spcs_list_type('AISO5 ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.18), ! from heterogeneous uptake of INALD
& spcs_list_type('ATRPN ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.10), ! SOA from first generation monoterpene nitrate
& spcs_list_type('AHONIT ',F,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'REV',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.14) ! SOA from second generation monoterpene nitrate
& /)
! Define Reference Emissions Size Distributions
! Geometric mean (or median) diameter by volume (or mass) of emitted particles in
! each mode [ m ] and geometric standard deviation of emitted particles.
! See paragraph #14 of Binkowski & Roselle (2003).
! 09/17/14 change by Kathleen Fahey - see Revision History, above.
TYPE em_aero
Character( 20 ) :: name
Real :: split( n_mode ) ! dimensionless
Real :: dgvem( n_mode ) ! meters
Real :: sgem ( n_mode ) ! dimensionless
END TYPE em_aero
INTEGER, PARAMETER :: desid_n_aero_ref = 9
TYPE( em_aero ), Parameter :: desid_aero_ref( desid_n_aero_ref ) = (/
! ----Name---- -----Split----- ---Geo. Mean Diameter--- ---Stnd Dev.---
& em_aero('FINE_REF ',(/0.1,0.9,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Default Accum and Aitken Mode
& em_aero('ACC_REF ',(/0.0,1.0,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Just Accumulation Mode
& em_aero('COARSE_REF ',(/0.0,0.0,1.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Just Coarse Mode
& em_aero('UNITY_REF ',(/1.0,1.0,1.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Used for online sectors (e.g. SeaSpray)
& em_aero('ZERO_REF ',(/0.0,0.0,0.0/),(/0.06E-6,0.28E-6 ,6.0E-6 /),(/1.7,1.7,2.2/)), ! Zero out the emissions
& em_aero('FINE_WBDUST ',(/0.0,1.0,0.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Default Fine Wind-Blown Dust Parameterization
& em_aero('COARSE_WBDUST ',(/0.0,0.0,1.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Default Coarse Wind-Blown Dust Param.
& em_aero('FINE_SEASPRAY ',(/0.0,1.0,0.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)), ! Fine Sea Spray Parameterization is Dynamic.
& em_aero('COARSE_SEASPRAY',(/0.0,0.0,1.0/),(/0.06E-6,1.391E-6,5.26E-6/),(/1.7,2.0,2.0/)) ! Coarse Sea Spray Parameterization is Dynamic.
! The values here are not actually used but
! are replaced in SSEMIS when FACNUM and FACSRF
! are calculated online.
& /)
! 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 /)
Real, Parameter :: pog_amf( n_vbs_bin ) = (/ 0.0, 0.5, 1.0, 1.0, 1.0 /)
! PCVOC_FAC is the scale factor for deriving PCVOC emissions from POA
! emissions. PCVOC is the vapor precursor to pcSOA formation.
Real, Parameter :: PCVOC_FAC = 6.579 ! Scale factor for PCVOC/POA
! Murphy et al., 2017
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 ! Species Long Name
Character( 16 ) :: name ! Species Name
Real :: mw ! Molecular weight (g/mol)
Real :: spcfac( 2 ) ! Speciation Factor for fine and coarse modes (g/g)
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_spc = 28
Type( emis_table ) :: dust_spc( ndust_spc ) = (/
C --description-- -- Species -- --MW-- ------ spcfac ------
C fine coarse
& emis_table( 'Sulfate ', 'SO4 ', 96.0, (/ 0.02250, 0.02655/) ), ! Sulfate
& emis_table( 'Nitrate ', 'NO3 ', 62.0, (/ 0.00020, 0.00160/) ), ! Nitrate
& emis_table( 'Chlorine ', 'CL ', 35.5, (/ 0.00945, 0.01190/) ), ! Chlorine
& emis_table( 'Ammonium ', 'NH4 ', 18.0, (/ 0.00005, 0.0 /) ), ! Ammonium
& emis_table( 'Sodium ', 'NA ', 23.0, (/ 0.03935, 0.0 /) ), ! Sodium
& emis_table( 'Calcium ', 'CA ', 40.1, (/ 0.07940, 0.0 /) ), ! Calcium
& emis_table( 'Magnesium ', 'MG ', 24.3, (/ 0.01900, 0.0 /) ), ! Magnesium
& emis_table( 'Potassium ', 'K ', 39.1, (/ 0.03770, 0.0 /) ), ! Potassium
& emis_table( 'Org. Carbon ', 'POC ', 220.0, (/ 0.01075, 0.0 /) ), ! Organic Carbon
& emis_table( 'NonCarbon Org.', 'PNCOM ', 220.0, (/ 0.00430, 0.0 /) ), ! Non-Carbon Organic Matter
& emis_table( 'Low-Vol. POA ', 'LVPO1 ', 218.0, (/ 0.01501, 0.0 /) ), ! Non-Carbon Organic Matter
& emis_table( 'Low-Vol. OOA ', 'LVOO1 ', 136.0, (/ 2.23E-5, 0.0 /) ), ! Non-Carbon Organic Matter
& emis_table( 'Black Carbon ', 'EC ', 12.0, (/ 0.0, 0.0 /) ), ! Black or Elemental Carbon
& emis_table( 'Iron ', 'FE ', 55.8, (/ 0.03355, 0.0 /) ), ! Iron
& emis_table( 'Aluminum ', 'AL ', 27.0, (/ 0.05695, 0.0 /) ), ! Aluminum
& emis_table( 'Silicon ', 'SI ', 28.1, (/ 0.19425, 0.0 /) ), ! Silicon
& emis_table( 'Titanium ', 'TI ', 47.9, (/ 0.00280, 0.0 /) ), ! Titanium
& emis_table( 'Manganese ', 'MN ', 54.9, (/ 0.00115, 0.0 /) ), ! Manganese
& emis_table( 'Water ', 'H2O ', 18.0, (/ 0.00541, 0.00637/) ), ! Water
& emis_table( 'Undefined Mass', 'OTHR ', 200.0, (/ 0.48319, 0.0 /) ), ! Other
& emis_table( 'Non-Anion Dust', 'SOIL ', 100.0, (/ 0.0, 0.95358/) ), ! Non-Anion Dust
& emis_table( 'Air Toxics Mn ', 'MN_HAPS', 54.9, (/ 0.00041, 0.00041/) ), ! Air toxics Manganese J and K mode
& emis_table( 'Nickel ', 'NI ', 58.7, (/ 2.0E-05, 2.0E-05/) ), ! Nickel J and K mode
& emis_table( 'Chromium III ', 'CR_III ', 52.0, (/ 5.6E-05, 5.6E-05/) ), ! Trivalent Chromium J and K mode
& emis_table( 'Arsenic ', 'AS ', 74.92,(/ 5.5E-06, 5.5E-06/) ), ! Arsenic J and K mode
& emis_table( 'Lead ', 'PB ', 207.2, (/ 1.6E-05, 1.6E-05/) ), ! Lead J and K mode
& emis_table( 'Cadmium ', 'CD ', 112.4, (/ 9.7E-08, 9.7E-08/) ), ! Cadmium J and K mode
& emis_table( 'Mercury ', 'PHG ', 200.5, (/ 1.4E-08, 1.4E-08/) ) /) ! Mercury J and K mode
! Manually Enter the mode-dependent Density of the Dust Particles using the mass fractions in
! the dust_spc table and user-defined densities for each component. You may reference the aerolist
! for densities as well. Units are [kg/m3]. The appropriate calculation is:
! dust_dens = sum( frac_i ) / sum( frac_i / dens_i )
! Make sure to ignore any tracer species when performing this calculation.
Real, Parameter :: dust_dens( n_mode ) = (/ 2200.0, 2156.55, 2536.92 /)
Real, ALLOCATABLE, SAVE :: DUSTOUTM( :,:,: ) ! Wind-Blown Dust Mass Emiss Rate [ug/m3/s]
Real, ALLOCATABLE, SAVE :: DUSTOUTN( :,:,: ) ! Wind-Blown Dust Number Emiss Rate [1/m3/s]
Real, ALLOCATABLE, SAVE :: DUSTOUTS( :,:,: ) ! Wind-Blown Dust Surface Area Emiss Rate [m2/m3/s]
C Sea-Spray Aerosol 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 = 17
Type( emis_table ), Parameter :: sea_spc( nsea_spc ) = (/
C -description-- -- Species -- --MW-- ------ spcfac ------
C fine coarse
& emis_table( 'Sulfate ', 'SO4 ', 96.0, (/ 0.07760, 0.07760/) ), ! Sulfate
& emis_table( 'Chlorine ', 'CL ', 35.5, (/ 0.55380, 0.55380/) ), ! Chlorine
& emis_table( 'Sodium ', 'NA ', 23.0, (/ 0.30860, 0.0 /) ), ! Sodium
& emis_table( 'Calcium ', 'CA ', 40.1, (/ 0.01180, 0.0 /) ), ! Calcium
& emis_table( 'Magnesium ', 'MG ', 24.3, (/ 0.03680, 0.0 /) ), ! Magnesium
& emis_table( 'Potassium ', 'K ', 39.1, (/ 0.01140, 0.0 /) ), ! Potassium
& emis_table( 'SeaSalt_Cation', 'SEACAT ', 23.75,(/ 0.0 , 0.36860/) ), ! Sea-Salt Cations
& emis_table( 'Chromium VI ', 'CR_VI ', 52.0, (/ 5.95E-9, 5.95E-9/) ), ! Hexavalent Chromium
& emis_table( 'Nickel ', 'NI ', 58.7, (/ 1.34E-8, 1.34E-8/) ), ! Nickle
& emis_table( 'Arsenic ', 'AS ', 74.92,(/ 4.93E-8, 4.93E-8/) ), ! Arsenic
& emis_table( 'Beryllium ', 'BE ', 9.0, (/ 5.2E-11, 5.2E-11/) ), ! Beryllium
& emis_table( 'Mercury ', 'PHG ', 200.5, (/ 5.8E-11, 5.8E-11/) ), ! Mercury
& emis_table( 'Lead ', 'PB ', 207.2, (/ 6.0E-11, 6.0E-11/) ), ! Lead
& emis_table( 'Cadmium ', 'CD ', 112.4, (/ 1.93E-9, 1.93E-9/) ), ! cadmium
& emis_table( 'Air Toxics Mn ', 'MN_HAPS', 54.9, (/ 4.7E-11, 4.7E-11/) ), ! Air toxics Manganese
& emis_table( 'Bromine ', 'BR ', 79.9, (/ 0.00190, 0.00190/) ), ! Bromine
& emis_table( 'Water ', 'H2O ', 18.0, (/ 0.0 , 0.0 /) ) /) ! Water (uptake is calculated online)
! MAKE SURE WATER IS THE LAST COMPONENT IN THE TABLE ABOVE OR YOU
! WILL ENCOUNTER ISSUES WITH THE SEA SPRAY EMISSIONS MODULE.
! Manually Enter the mode-dependent density of the Sea Spray Particles using the mass fractions in
! the sea_spc table and user-defined densities for each component. You may reference the aerolist
! for densities as well. Units are [kg m-3]. The appropriate calculation is:
! seaspray_dens = sum( frac_i ) / sum( frac_i / dens_i )
! Make sure to ignore any tracer species when performing this calculation.
Real, Parameter :: seaspray_dens( n_mode ) = (/ 2162.7, 2162.7, 2162.7 /)
Real, Parameter :: specific_vol_h2o = 0.001 !Inverse Density of Particulate Water
C Constants used for simulating the ionic effects of sea-spray,
C windblown dust and anthropogenic dust in the coarse mode. These cation
C species are not transported individually in the domain but their
C relative abundance is assumed to be constant and scaled to the total
C SeaSalt_Cation, ASOIL, or Coarse-Mode Dust present.
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 ! for NA in coarse sea-spray aerosol
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 ! for MG in coarse sea-spray aerosol
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 ! for K in coarse sea-spray aerosol
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 ! for CA in coarse sea spray aerosol
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 windblown 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 windblown dust
Real( 8 ), Parameter :: acors_mn_fac = 0.0011D0 ! for MN in anthropogenic coarse
C Coarse mode PMC speciation based on anthropogenic 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 :: acorsem_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.
Logical :: ae7orgh2o = .False.
Logical :: marine = .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'
Character( 16 ), Private, Parameter :: req_orgh2o = 'AORGH2O'
Character( 16 ), Private, Parameter :: req_br = 'ABR'
Character( 16 ), Private, Parameter :: req_so4aqh2o2 = 'ASO4AQH2O2'
Character( 16 ), Private, Parameter :: req_so4aqo3 = 'ASO4AQO3'
Character( 16 ), Private, Parameter :: req_so4aqfemn = 'ASO4AQFEMN'
Character( 16 ), Private, Parameter :: req_so4aqmhp = 'ASO4AQMHP'
Character( 16 ), Private, Parameter :: req_so4aqpaa = 'ASO4AQPAA'
Character( 16 ), Private, Parameter :: req_so4gas = 'ASO4GAS'
Character( 16 ), Private, Parameter :: req_so4emis = 'ASO4EMIS'
Character( 16 ), Private, Parameter :: req_so4icbc = 'ASO4ICBC'
Character( 16 ), Private, Parameter :: req_oso4 = 'OSO4'
Character( 16 ), Private, Parameter :: req_oso4aqh2o2 = 'OSO4AQH2O2'
Character( 16 ), Private, Parameter :: req_oso4aqo3 = 'OSO4AQO3'
Character( 16 ), Private, Parameter :: req_oso4aqfemn = 'OSO4AQFEMN'
Character( 16 ), Private, Parameter :: req_oso4aqmhp = 'OSO4AQMHP'
Character( 16 ), Private, Parameter :: req_oso4aqpaa = 'OSO4AQPAA'
Character( 16 ), Private, Parameter :: req_oso4gas = 'OSO4GAS'
Character( 16 ), Private, Parameter :: req_oso4emis = 'OSO4EMIS'
Character( 16 ), Private, Parameter :: req_oso4icbc = 'OSO4ICBC'
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
Integer :: aorgh2o_idx= 0
Integer :: abr_idx = 0
C Indices of Optional sulfur tracking species
Integer :: aso4aqh2o2_idx = 0
Integer :: aso4aqo3_idx = 0
Integer :: aso4aqfemn_idx = 0
Integer :: aso4aqmhp_idx = 0
Integer :: aso4aqpaa_idx = 0
Integer :: aso4gas_idx = 0
Integer :: aso4emis_idx = 0
Integer :: aso4icbc_idx = 0
Integer :: oso4_idx = 0
Integer :: oso4aqh2o2_idx = 0
Integer :: oso4aqo3_idx = 0
Integer :: oso4aqfemn_idx = 0
Integer :: oso4aqmhp_idx = 0
Integer :: oso4aqpaa_idx = 0
Integer :: oso4gas_idx = 0
Integer :: oso4emis_idx = 0
Integer :: oso4icbc_idx = 0
C Common Arrays for Aerosol Data
Real, Allocatable :: aerospc_mw( : ) ! molecular weights (from AE_SPC Namelist) [ g/mol ]
Real, Allocatable :: aerospc_mwinv( : ) ! reciprocal MWs (from AE_SPC Namelist) [ mol/g ]
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 Variables for converting emission rates into molar-mixing-ratio units
REAL, PARAMETER :: GPKG = 1.0E+03 ! kg -> g
REAL, PARAMETER :: MGPG = 1.0E+06 ! g -> ug
C-------------------------------------------------------------------------------------------------------
Type mode_type
Character( 3 ) :: suff ! Suffix
Character( 16 ) :: num_name ! name of aerosol number variable
Character( 16 ) :: srf_name ! name of aerosol surface area variable
Logical :: ultrafine_mask ! is this mode ultrafine PM?
Logical :: fine_mask ! is this mode fine PM?
Logical :: coarse_mask ! is this mode coarse PM?
Logical :: accum_mask ! is this accumulation-mode PM?
Logical :: aitken_mask ! is this aitken-mode PM?
Logical :: nuc_mask ! is this nucleation-mode PM?
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 suffix number surface Masks minimum minimum minimum
C name name U F C AC AI NU numconc m2conc m3conc
C ------- ---------- ------- - - - -- -- -- -------- ------- ------
& mode_type('AIT' ,'NUMATKN', 'SRFATKN', T, T, F, F, T, F, conmin, conmin, conmin),
& mode_type('ACC' ,'NUMACC ', 'SRFACC ', F, T, F, T, F, F, conmin, conmin, conmin),
& mode_type('COR' ,'NUMCOR ', 'SRFCOR ', F, F, T, F, F, F, 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) for the NUMBER
C distribution. Remember that for log-normal distributions the geometric
C mean and the median are identical!
Real :: aeromode_diam( n_mode ) ! [ m ]
C Log of geometric standard deviation (calculated by GETPAR ) for the
C NUMBER distribution.
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 :: aeronum_map( n_mode ) ! indices of aero number variable to CGRID
Integer :: aerosrf_map( n_mode ) ! indices of aero surf area variable to CGRID
! Diagnostic Aerosol Distribution Parameters
Real :: wet_aero_diam( n_mode )
Real :: dry_aero_diam( n_mode )
Real :: wet_aero_m2 ( n_mode )
Real :: dry_aero_m2 ( n_mode )
Real :: wet_aero_m3 ( n_mode )
Real :: dry_aero_m3 ( n_mode )
Real :: wet_aero_dens( n_mode )
Real :: dry_aero_dens( n_mode )
C Missing aerosol species map
Logical, Allocatable :: aero_missing( :,: )
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 the AE_SPC and AE_TRNS vectors. For example,
!L_AESP_NUM stores 1's for every species on AE_SPC that
!represents an aerosol number concentration and 0's otherwise.
! L_AESP_NUM - Number Concentration
! L_AESP_SURF - Surface Area Concentration
! L_AESP_MASS - Mass Concentration
! L_AESP_MODE - Mask for each aerosol mode
LOGICAL, ALLOCATABLE, SAVE :: L_AESP_NUM(:), L_AESP_SRF(:), L_AESP_MASS(:),
& L_AESP_MODE(:,:), L_AESP_DRY(:)
LOGICAL, ALLOCATABLE, SAVE :: L_AETR_NUM(:), L_AETR_SRF(:), L_AETR_MASS(:),
& L_AETR_MODE(:,:), L_AETR_DRY(:)
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'
! Variables for collecting tendencies for aerosol sub-processes and
! passing back to modules like Process analysis and ISAM. These vectors
! should be sized to the same length as the CGRID species dimension and
! be mapped to CGRID species order. Units for each are total
! concentration or mixing ratio gained or lost. These are not normalized
! by the time step. Ex (ppmv, ug m-3, N m-3, or m2 m-3)
REAL, ALLOCATABLE, SAVE :: COND_BUDGET( : )
REAL, ALLOCATABLE, SAVE :: COAG_BUDGET( :,: )
REAL, ALLOCATABLE, SAVE :: NPF_BUDGET( : )
REAL, ALLOCATABLE, SAVE :: GROWTH_BUDGET( : )
! Initial Reference Values for M2 and M3 used for Heterogenous Chemistry
! Module.
REAL( 8 ), ALLOCATABLE, SAVE :: CHEM_M2DRY_INIT( :,:,:,: ),
& CHEM_M3DRY_INIT( :,:,:,: )
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 vdiff_data, only : n_spc_diff, diff_spc
Implicit None
C Local Variables:
Character( 256 ) :: xmsg
Character( 256 ) :: xmsg2
Real :: mole_weight( n_aerolist )
Integer :: map_listtogrid( n_aerolist,n_mode )
Integer :: map_aerotolist( n_aerolist )
Integer, Allocatable :: aerospc_in_dustlist( : )
Character(16), Allocatable :: refractive_index( : )
Integer l, m, n, spc, isea, idust, p
Real so4fac
Real anthfac
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
Logical new_bulk_species
Logical replace_optics_surr
Character(16) sn
If ( mapped ) Return
Call LOG_SUBHEADING( LOGDEV, "Map Aerosol Species" )
mole_weight = 0.0
n_aerospc = 0 ! Number of Used Aerosol Chemical Species
map_listtogrid = 0 ! Pointer from aerolist to CGRID
map_aerotolist = 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 ),
& l_aesp_num( n_ae_spc ),
& l_aesp_srf( n_ae_spc ), l_aesp_mass( n_ae_spc ),
& l_aesp_mode( n_mode,n_ae_spc ), l_aesp_dry( n_ae_spc ),
& l_aetr_num( n_ae_trns ),
& l_aetr_srf( n_ae_trns ), l_aetr_mass( n_ae_trns ),
& l_aetr_mode( n_mode,n_ae_trns ), l_aetr_dry( n_ae_trns ) )
Allocate( refractive_index( n_aerolist ) )
refractive_index( : ) = aerolist( : )%optic_surr
aerocgrid_rhoinv = 0.
l_aesp_num = .False.
l_aesp_srf = .False.
l_aesp_mass= .False.
l_aesp_mode= .False.
l_aesp_dry = .False.
l_aetr_num = .False.
l_aetr_srf = .False.
l_aetr_mass= .False.
l_aetr_mode= .False.
l_aetr_dry = .False.
C Build mapping to CGRID for each species in the master AeroList
Do spc = 1, n_aerolist
! Check to see if this species is in the namelist
replace_optics_surr = .False.
do m = 1,n_mode
if ( m .eq. n_mode .and.
& (aerolist( spc )%bulkname .eq. 'ACORS' .or.
& aerolist( spc )%bulkname .eq. 'ASOIL' .or.
& aerolist( spc )%bulkname .eq. 'ASEACAT' .or.
& aerolist( spc )%bulkname .eq. 'ADE_CORS' ) ) then
sn = aerolist( spc )%bulkname
else
sn = trim( aerolist( spc )%bulkname ) // modesuff( m )
end if
n = index1( sn, n_ae_spc, ae_spc )
p = index1( sn, n_ae_trns, ae_trns )
If ( n .Ne. 0 ) Then
If( Len_Trim( ae_optics( n ) ) .gt. 0 )Then
replace_optics_surr = .True.
End If
! Species is on the NameList
new_bulk_species = ( .Not. Any( map_listtogrid( spc,: ) .NE. 0 ) )
If ( new_bulk_species ) Then
! Add this species to the map if it does not exist already
n_aerospc = n_aerospc + 1
map_aerotolist( n_aerospc ) = spc
! Set the Molecular Weight
mole_weight( spc ) = ae_molwt( n )
If( replace_optics_surr )refractive_index( spc ) = ae_optics( 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 = 'The molecular weight of ' // Trim( sn )
& // ' 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.
Else If ( replace_optics_surr ) Then
If ( refractive_index( spc ) .Ne. ae_optics( n ) ) Then
! If the species already exists and the
! namelist's refractive index for the mode
! does not match the new value,
! write message and set error flag
xmsg = 'FATAL ERROR: In AErosol namelist, OPTICS value '
& // 'for bulk ' // Trim( aerolist( spc )%bulkname )
& // ' is inconsistent across modes. CORRECT the AE namelist'
Call m3mesg( xmsg )
If( Len_Trim( ae_optics( n ) ) .lt. 1 ) Then
xmsg2 = 'blank'
Else
xmsg2 = Trim( ae_optics( n ) )
End If
Write( xmsg,* ) 'Bad Value is ', Trim( xmsg2 ),
& '; Expected value is ', Trim( refractive_index( spc ) )
Call m3mesg( xmsg )
AE_eflag = .True.
End If
End If
! Update the map from CGRID to AeroList for this mode
map_listtogrid( spc,m ) = ae_strt - 1 + n