!------------------------------------------------------------------------! ! 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 = 141 ! 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('ASO4TRAC',T,T,T, cm_set, 1800.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.2, 4.8,F, 'DUST ', 0.00), ! Sulfate Tracer & spcs_list_type('ASLFTRAC',T,T,T, cm_set, 1800.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.2, 4.8,F, 'DUST ', 0.00), ! Sulfate Tracer & 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 l_aesp_mode( m,n ) = .True. l_aetr_mode( m,p ) = .True. If ( .Not. aerolist( spc)%tracer ) then l_aesp_mass( n ) = .True. if ( p .gt. 0 ) l_aetr_mass( p ) = .True. End If If ( .Not. aerolist( spc)%no_m2wet ) then l_aesp_dry( n ) = .True. if ( p .gt. 0 ) l_aetr_dry( p ) = .True. End If !Map the CGRID Aerosol Species to their Densities aerocgrid_rhoinv( n ) = 1.0 / aerolist( spc )%density End If End Do End Do Write(logdev,*)' ' ! 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_mwinv ( n_aerospc ) ) Allocate ( aerospc_map ( n_aerospc, n_mode ) ) Allocate ( aerospc_conc ( n_aerospc, n_mode ) ) Allocate ( aero_missing ( n_aerospc, n_mode ) ) #ifdef sens Allocate ( s_aerospc_conc( n_aerospc,n_mode,npmax ) ) #endif aero_missing( :,: ) = .True. aerospc_conc( :,: ) = conmin Do spc = 1, n_aerospc ! Loop through user-requested chemical species l = map_aerotolist( spc ) ! Map AeroList Contents to AeroSpc aerospc( spc )%bulkname = aerolist( l )%bulkname aerospc( spc )%lait = aerolist( l )%lait aerospc( spc )%lacc = aerolist( l )%lacc aerospc( spc )%lcor = aerolist( l )%lcor aerospc( spc )%min_conc = aerolist( l )%min_conc aerospc( spc )%density = aerolist( l )%density aerospc( spc )%gasname = aerolist( l )%gasname aerospc( spc )%ctrname = aerolist( l )%ctrname aerospc( spc )%ctr_yield = aerolist( l )%ctr_yield aerospc( spc )%voltype = aerolist( l )%voltype aerospc( spc )%no_M2wet = aerolist( l )%no_M2Wet aerospc( spc )%tracer = aerolist( l )%tracer aerospc( spc )%charge = aerolist( l )%charge aerospc( spc )%visual_idx = aerolist( l )%visual_idx aerospc( spc )%visual_idx_large = aerolist( l )%visual_idx_large aerospc( spc )%om = aerolist( l )%om aerospc( spc )%optic_surr = refractive_index( l ) aerospc( spc )%kappaorg = aerolist( l )%kappaorg aerospc( spc )%name( : ) = '' If ( aerospc( spc )%optic_surr .Ne. aerolist( l )%optic_surr ) Then xmsg = 'For aerosol species, ' // Trim( aerospc( spc )%bulkname ) & // ', setting refactive index to ' & // Trim( aerospc( spc )%optic_surr ) // ' instead of ' & // Trim( aerolist( l )%optic_surr ) write(logdev,'(a)')Trim( xmsg ) End If ! Map mode-independent properties aerospc_mw( spc ) = mole_weight( l ) aerospc_mwinv( spc ) = 1.0E0 / aerospc_mw( spc ) Do n = 1,n_mode ! Map the Modal-Dependent CGRID Pointers from AeroSpc to AeroList aerospc_map( spc, n ) = map_listtogrid( l, n ) ! Remove this Chemical/Mode Combination from the "missing" list ! if it can be mapped to the cgrid list of variables if ( aerospc_map( spc,n ) .ne. 0 ) then aero_missing( spc,n ) = .False. ! Create Mode-Dependent Names if ( aerospc( spc )%bulkname .eq. 'ACORS' .or. & aerospc( spc )%bulkname .eq. 'ASOIL' .or. & aerospc( spc )%bulkname .eq. 'ASEACAT' .or. & aerospc( spc )%bulkname .eq. 'ADE_CORS' ) then aerospc( spc )%name( n ) = trim( aerospc( spc )%bulkname ) else aerospc( spc )%name( n ) = & trim( aerospc( spc )%bulkname ) // modesuff( n ) end if end if End Do End Do Write(logdev,*)' ' 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 ) p = index1( aeromode( m )%num_name , n_ae_trns, ae_trns ) 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 l_aesp_num( n ) = .True. l_aesp_mode( m,n ) = .True. if ( p .gt. 0 ) then l_aetr_num( p ) = .True. l_aetr_mode( m,p ) = .True. end if End If n = index1( aeromode( m )%srf_name , n_ae_spc, ae_spc ) p = index1( aeromode( m )%srf_name , n_ae_trns, ae_trns ) 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 l_aesp_srf( n ) = .True. l_aesp_mode( m,n ) = .True. if ( p .gt. 0 ) then l_aetr_srf( p ) = .True. l_aetr_mode( m,p ) = .True. end if 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. ) apoc_idx = findAero( req_poc, .True. ) apncom_idx = findAero( req_ncom, .True. ) If ( ( Index( mechname, 'SAPRC07TIC_AE6I' ) .Gt. 0 ) .OR. & ( Index( mechname, 'SAPRC07TIC_AE7I' ) .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 If ( Index( mechname, 'CB6R5M_AE7_AQ' ) .Gt. 0 ) Then abr_idx = findAero( req_br, .True. ) marine = .True. Else abr_idx = 0 marine = .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 AORGH2O is not required, but highly recommended for aero7 aorgh2o_idx = findAero( req_orgh2o, .False. ) If ( aorgh2o_idx .Gt. 0 ) Then ae7orgh2o = .True. Else aorgh2o_idx = 0 ae7orgh2o = .False. End If If ( stm ) Then aso4aqh2o2_idx = findAero( req_so4aqh2o2, .True. ) aso4aqo3_idx = findAero( req_so4aqo3, .True. ) aso4aqfemn_idx = findAero( req_so4aqfemn, .True. ) aso4aqmhp_idx = findAero( req_so4aqmhp, .True. ) aso4aqpaa_idx = findAero( req_so4aqpaa, .True. ) aso4gas_idx = findAero( req_so4gas, .True. ) aso4emis_idx = findAero( req_so4emis, .True. ) aso4icbc_idx = findAero( req_so4icbc, .True. ) If ( ( ae6isoa ) .OR. & ( Index( mechname, 'CRACMM1_' ) .Gt. 0 ) .OR. & ( Index( mechname, 'CRACMM2' ) .Gt. 0 ) .OR. & ( Index( mechname, 'CRACMM1AMORE_' ) .Gt. 0 ) .OR. & ( Index( mechname, 'CB6R3_AE7' ) .Gt. 0 ) .OR. & ( Index( mechname, 'CB6R5_AE7' ) .Gt. 0 ) .OR. & ( Index( mechname, 'CB6R5M_AE7' ) .Gt. 0 ) ) Then oso4_idx = findAero( req_oso4, .True. ) oso4aqh2o2_idx = findAero( req_oso4aqh2o2, .True. ) oso4aqo3_idx = findAero( req_oso4aqo3, .True. ) oso4aqfemn_idx = findAero( req_oso4aqfemn, .True. ) oso4aqmhp_idx = findAero( req_oso4aqmhp, .True. ) oso4aqpaa_idx = findAero( req_oso4aqpaa, .True. ) oso4gas_idx = findAero( req_oso4gas, .True. ) oso4emis_idx = findAero( req_oso4emis, .True. ) oso4icbc_idx = findAero( req_oso4icbc, .True. ) EndIf 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 ) = aerospc( aso4_idx )%min_conc( m ) / & ( def_diam( m )**3 * Exp( 4.5 * Log( def_sigma_g( m ) )**2 ) ) aeromode_minNum( m ) = aeromode_minNum( m ) * so4fac aeromode_minNum( m ) = Max( aeromode_minNum( m ), conmin ) Else aeromode_minNum( m ) = aerospc( acors_idx )%min_conc( m ) / & ( def_diam( m )**3 * Exp( 4.5 * Log( def_sigma_g( m ) )**2 ) ) aeromode_minNum( m ) = aeromode_minNum( m ) * anthfac aeromode_minNum( m ) = Max( aeromode_minNum( m ), conmin ) End If aeromode_minM2( m ) = aeromode_minNum( m ) * & def_diam( m )**2 * Exp( 2.0 * Log( def_sigma_g( m ) )**2 ) End do ! Substitute Gas and Rxn Counter Names for CGRID names Do spc = 1,n_aerospc If ( aerospc( spc )%gasname .ne. '' ) Then Do l = 1,n_gc_g2ae If ( aerospc( spc )%gasname .eq. gc_g2ae( l ) ) & aerospc( spc )%gasname = gc_spc( gc_g2ae_map(l) ) End Do Do l = 1,n_nr_n2ae If ( aerospc( spc )%gasname .eq. nr_n2ae( l ) ) & aerospc( spc )%gasname = nr_spc( nr_n2ae_map(l) ) End Do End If If ( aerospc( spc )%ctrname .ne. '' ) Then Do l = 1,n_gc_g2ae If ( aerospc( spc )%ctrname .eq. gc_g2ae( l ) ) & aerospc( spc )%ctrname = gc_spc( gc_g2ae_map(l) ) End Do Do l = 1,n_nr_n2ae If ( aerospc( spc )%ctrname .eq. nr_n2ae( l ) ) & aerospc( spc )%ctrname = nr_spc( nr_n2ae_map(l) ) End Do End If End Do ! Exit if Errors are Detected if( AE_eflag )Then Write(logdev,99901) Trim( mechname ) xmsg = 'The FATAL errors found in namelist used. Check ' & // 'the log of exiting processor if more details are needed.' Call m3exit( pname, 0, 0, xmsg, xstat3 ) End If mapped = .True. 99901 Format( 'FATAL Error(s) found in the AE namelist used. Check that' & /' this AE namelist contains the above required data ' & / 'as the file in ' & /'the respository version of the mechanism: ', a ) Return End Subroutine map_aero C----------------------------------------------------------------------- #ifdef sens Subroutine extract_aero( conc, minchk, s_conc, schk ) #else Subroutine extract_aero( conc, minchk ) #endif C Extracts aerosol data into the AERO_DATA:aerospc_conc array C The original idea is that the data for conc comes from CGRID C Also transfers dry surface area to wet 2nd moment. C Revision History: C First version was coded in April 2010 by Steve Howard with C Prakash Bhave, Jeff Young, and Sergey Napelenok. C 4/2016: Updated for 2nd moment by H. Pye and B. Murphy C----------------------------------------------------------------------- Use aeromet_data, only : pi, f6pi ! fundamental constants, data type definitions, etc. Implicit None C Arguments: Real, Intent( In ) :: conc( : ) Logical, Intent( In ) :: minchk #ifdef sens Real, Intent( In ) :: s_conc( :,: ) Logical, Intent( In ) :: schk ! necessary because some routines don't require sensitivity updates #endif C Local Variables: Integer m, n, spc If ( .Not. mapped ) Then Call map_aero() End If #ifdef sens If ( schk ) Then If ( .Not. ae_ddm3d_ready ) Then Call init_aero_ddm3d() End If End If #endif C Copy grid cell concentrations of aero species to aerospc_conc aerospc_conc = 0.0 #ifdef sens If ( schk ) Then s_aerospc_conc = 0.0D0 End If #endif If ( minchk ) Then Do m = 1, n_mode Do spc = 1, n_aerospc n = aerospc_map( spc,m ) If ( n .Ne. 0 ) Then aerospc_conc( spc,m ) = Max( conc( n ), aerospc( spc )%min_conc( m ) ) ! [ug/m^3] #ifdef sens If ( schk ) Then Do np = 1, npmax If ( aerospc_conc( spc,m ) .Eq. aerospc( spc )%min_conc( m ) ) Then s_aerospc_conc( spc,m,np ) = 0.0D0 Else s_aerospc_conc( spc,m,np ) = Real( s_conc( np,n ), 8 ) End If End Do End If #endif End If End Do End Do Else Do m = 1, n_mode Do spc = 1, n_aerospc n = aerospc_map( spc,m ) If ( n .Ne. 0 ) Then aerospc_conc( spc,m ) = conc( n ) ! [ug/m^3] #ifdef sens If ( schk ) Then Do np = 1, npmax s_aerospc_conc( spc,m,np ) = Real( s_conc( np,n ), 8 ) End Do End If #endif End If End Do End Do End If ! Calculate Dry Third Moment [ m3 / m3 ] Do m = 1, n_mode moment3_conc( m ) = sum( aerospc_conc(:,m) / aerospc(:)%density, & MASK= ( ( .NOT. aerospc%no_M2wet ) .AND. & ( .NOT. aerospc%Tracer ) ) ) moment3_conc( m ) = max( moment3_conc( m ) * 1.0E-9 * f6pi, & aeromode( m )%min_m3conc ) End Do C Copy grid cell concentrations of aero # and surf area C Convert surface area to M2 and set wet_moments_flag moment0_conc = 0.0 moment2_conc = 0.0 If ( minchk ) Then Do m = 1, n_mode n = aeronum_map( m ) moment0_conc( m ) = Max( conc( n ), aeromode( m )%min_numconc ) n = aerosrf_map( m ) moment2_conc( m ) = Max( conc( n ) / pi, aeromode( m )%min_m2conc ) End Do Else Do m = 1, n_mode n = aeronum_map( m ) moment0_conc( m ) = conc( n ) n = aerosrf_map( m ) moment2_conc( m ) = conc( n ) / pi End Do End If wet_moments_flag = .false. C Convert dry 2,3 moment to wet 2,3 moment C flag will be set to .true. Call calcmoments( .true. ) Return End Subroutine extract_aero C----------------------------------------------------------------------- #ifdef sens Subroutine update_aero( conc, minchk, s_conc ) #else Subroutine update_aero( conc, minchk ) #endif C Updates conc from the AERO_DATA:aerospc_conc array. C The original idea is that the data in conc updates CGRID C Update_aero now also saves the updated surface area back to CGRID as C well. Moment2 will be dried if necessary and flag reset. C Revision History: C First version was coded in April 2010 by Steve Howard with C Prakash Bhave, Jeff Young, and Sergey Napelenok. C 4/2016: Updated for 2nd moment by H. Pye and B. Murphy C----------------------------------------------------------------------- Use aeromet_data, only : pi ! fundamental constants, data type definitions, etc. Implicit None C Arguments: Real, Intent( Out ) :: conc( : ) Logical, Intent( In ) :: minchk #ifdef sens Real, Intent( Out ) :: s_conc( :,: ) #endif C Local variables: Character( 80 ) :: xmsg Integer m, n, spc If ( .Not. mapped ) Then xmsg = 'CGRID Species has not been mapped' Call m3exit( pname, 0, 0, xmsg, xstat3 ) End If C Copy aerospc_conc back to grid cell concentrations If ( minchk ) Then Do m = 1, n_mode Do spc = 1, n_aerospc n = aerospc_map( spc,m ) If ( n .Ne. 0 ) Then conc( n ) = Max( aerospc_conc( spc,m ), aerospc( spc )%min_conc( m ) ) #ifdef sens Do np = 1, npmax If ( conc( n ) .Eq. aerospc( spc )%min_conc( m ) ) Then s_conc( np,n ) = 0.0 Else s_conc( np,n ) = Real( s_aerospc_conc( spc,m,np ), 4 ) End If End Do #endif End If End Do End Do Else Do m = 1, n_mode Do spc = 1, n_aerospc n = aerospc_map( spc,m ) If ( n .Ne. 0 ) Then conc( n ) = aerospc_conc( spc,m ) #ifdef sens Do np = 1, npmax s_conc( np,n ) = Real( s_aerospc_conc( spc,m,np ), 4 ) End Do #endif End If End Do End Do End If C Copy aero number and surface area back to grid cell concentrations If ( minchk ) Then Do m = 1, n_mode n = aeronum_map( m ) conc( n ) = Max( moment0_conc( m ), aeromode( m )%min_numconc ) End Do Else Do m = 1, n_mode n = aeronum_map( m ) conc( n ) = moment0_conc( m ) End Do End If C Save dry second moment to surface area (with pi conversion) If ( wet_moments_flag ) Then Call calcmoments( .False. ) ! called with the F flag, returns dry moments End If Do m = 1, n_mode n = aerosrf_map( m ) conc( n ) = Real( pi, 4 ) * moment2_conc( m ) End Do Return End Subroutine update_aero C----------------------------------------------------------------------- Function findAero( vname, required ) Result ( idx ) C Finds the index of 'required' aerosol species in the aerospc list C Revision History: C First version was coded in April 2010 by Steve Howard with C Prakash Bhave, Jeff Young, and Sergey Napelenok. C----------------------------------------------------------------------- Implicit None C Arguments: Character( 16 ) :: vname Logical :: required Integer :: idx C Local Variables: Character( 80 ) :: xmsg Integer spc, n idx = 0 C Find the substring vname in aerospc( spc )%name( n ) Do spc = 1, n_aerospc If ( aerospc( spc )%bulkname .eq. vname ) Then idx = spc Return End If Do n = 1, n_mode If ( aerospc( spc )%name( n ) .eq. vname ) Then idx = spc Return End If End Do End Do If ( .Not. required ) Then xmsg = 'Optional Species ' & // Trim( vname ) // ' Not found in AE namelist.' write(logdev,'(5x,a)') xmsg Return End If xmsg = 'Required Species ' // Trim( vname ) // & ' Not found in AE namelist' AE_eflag = .True. Call m3warn( pname, 0, 0, xmsg ) Return End Function findAero C----------------------------------------------------------------------- Subroutine calcmoments( addwet ) C Subroutine calculates wet (addwet=T) or dry (addwet=F) aerosol third C and second moment and stores them in moment_conc arrays and C updates wet_moments_flag. C Note that third moment information will be overwritten no matter what C the wet_moments_flag indicates. M2 will depend on the history C of the moment (wet_moments_flag). This routine will not update C M2 in the event of added mass due to processes other than C wetting/drying. C C Notes: C wet_moments_flag is obtained from AERO_DATA ! true = H2O and SOA included in 2,3 moment C ! false = H2O and SOA excluded from 2,3 moment C wet_moments_flag reflects the current state of the moment2,3_conc arrays. C addwet will results in wet (T) or dry (F) moments. C C History: C 4/2016: HOT Pye Created routine C C----------------------------------------------------------------------- Use aeromet_data, only: f6dpi, f6pi Implicit None C Arguments: Logical :: addwet ! T: result in wet m3 and m2, F: result in dry m3 and m2 C Parameters: Real( 8 ), Parameter :: two3rds = 2.0D0 / 3.0D0 C Local variables: Integer :: spc, n ! loop variable Real( 4 ) :: m3( n_mode ) ! wet or dry M3 Real( 4 ) :: m2( n_mode ) ! wet or dry M2 Real( 8 ) :: drysumM3 ! dry M3 [ m**3 / m**3 ] Real( 8 ) :: wetsumM3 ! wet M3 [ m**3 / m**3 ] Real( 8 ) :: factor Real( 4 ) :: initialM3 ! initial M3 from moment3_conc [ m**3 /m**3 ] Real( 4 ) :: initialM2 ! initial M2 from moment2_conc [ m**2 /m**3 ] Character( 16 ) :: pname_loc = 'CalcMoments' Character( 100 ) :: xmsg C *** Calculate aerosol 3rd moment concentrations [ m**3 / m**3 ], 2nd C moment [ m**2/m**3 ] If( addwet ) then Do n = 1, n_mode initialM2 = moment2_conc( n ) If ( initialM2 .Eq. 0.0 ) Then write( xmsg,'(A32,I1,A42)') "Warning: Second Moment for Mode ", & n," is 0.0. This will cause numerical issues." Call m3warn( pname_loc, 0, 0, xmsg ) End If initialM3 = max( moment3_conc( n ), aeromode( n )%min_m3conc ) If ( initialM3 .Eq. 0.0 ) Then write( xmsg,'(A31,I1,A42)') "Warning: Third Moment for Mode ", & n," is 0.0. This will cause numerical issues." call m3warn( pname_loc, 0, 0, xmsg ) End If wetsumM3 = 0.0d0 Do spc = 1, n_aerospc If ( aerospc( spc )%tracer .Or. aero_missing(spc,n) ) Cycle factor = Real( 1.0E-9 * f6pi / aerospc( spc )%density, 8 ) wetsumM3 = wetsumM3 + factor * Real( aerospc_conc( spc,n ), 8 ) End Do m3( n ) = Max ( Real( wetsumM3, 4 ), aeromode( n )%min_m3conc ) If ( wet_moments_flag ) Then m2( n ) = initialM2 Else m2( n ) = initialM2 * ( Real( wetsumM3, 4 ) / initialM3 ) ** Real( two3rds, 4 ) End if End Do ! Save back to aero_data variables moment2_conc( : ) = m2( : ) moment3_conc( : ) = m3( : ) wet_moments_flag = .True. Else ! produce dry moments Do n = 1, n_mode initialM2 = moment2_conc( n ) If ( initialM2 .Eq. 0.0 ) Then write( xmsg,'(A32,I1,A42)') "Warning: Second Moment for Mode ", & n," is 0.0. This will cause numerical issues." Call m3warn( pname_loc, 0, 0, xmsg ) End If initialM3 = max( moment3_conc( n ), aeromode( n )%min_m3conc ) If ( initialM3 .Eq. 0.0 ) Then write( xmsg,'(A31,I1,A42)') "Warning: Third Moment for Mode ", & n," is 0.0. This will cause numerical issues." Call m3warn( pname_loc, 0, 0, xmsg ) End If drysumM3 = 0.0d0 Do spc = 1, n_aerospc If ( aerospc( spc )%tracer .Or. aero_missing(spc,n) .Or. & aerospc( spc )%no_M2Wet ) Cycle factor = Real( 1.0E-9 * f6pi / aerospc( spc )%density, 8 ) drysumM3 = drysumM3 + factor * Real( aerospc_conc( spc,n ), 8 ) End Do m3( n ) = Max ( Real( drysumM3, 4 ), aeromode( n )%min_m3conc ) If ( wet_moments_flag) Then m2( n ) = initialM2 * ( Real( drysumM3, 4 ) / initialM3 ) ** Real( two3rds, 4 ) Else ! already dry m2( n ) = initialM2 End If End Do ! Save back to aero_data variables moment2_conc( : ) = m2( : ) moment3_conc( : ) = m3( : ) wet_moments_flag = .False. End If Return End Subroutine calcmoments C C----------------------------------------------------------------------- Subroutine CHECK_AERO_ICBC( IBCON0, LM2WET, USE_M2, IS_BC, & L_WRITE_WARNING, COL, ROW, LAY ) C Subroutine checks that all size distributions from boundary and C initial conditions are within tolerances for diameter and mode C width. If any parameters are out of range or particle number or mass C are neglgible, this routine will enforce default parameters and C recalculate all three moments so that calculations in subsequent C modules are stable. C C Inputs: IBCON - the actual initial or boundary condition vector of C concentrations from the calling routine C LM2WET - Logical identifying if the second moment of the C distribution is dry or wet. False = Dry. 'Wet' C aerosol includes species for which the variable C no_M2Wet is set to True in the aerolist. C USE_M2 - Logical prescribing whether or not to use C the second moment from the input IC or BC file. C True = use the 2nd moment input from the file. C IS_BC - TRUE if this is for BCs, FALSE for ICs C L_WRITE_WARNING - Should a warning be printed if a size C distribution fails C C 11 May 16 B.Murphy Program Written C C----------------------------------------------------------------------- Use AEROMET_DATA, only : pi, f6pi Use CGRID_SPCS, only : N_AE_TRNS, N_AE_SPC Use HGRD_DEFN, ONLY : NROWS, NCOLS #ifndef mpas #ifdef parallel USE SE_MODULES ! stenex (using SE_COMM_MODULE, SE_UTIL_MODULE) #else USE NOOP_MODULES ! stenex (using NOOP_COMM_MODULE, NOOP_UTIL_MODULE) #endif #endif Implicit None REAL, INTENT(INOUT) :: IBCON0( : ) LOGICAL, INTENT( IN ) :: LM2WET ! FALSE (Default) for Dry distribution parameters ! TRUE for Wet distribution parameters LOGICAL, INTENT( IN ) :: USE_M2 ! TRUE (Default) to use second moment from input file ! FALSE to ignore and overwrite M2 from input ! file LOGICAL, INTENT( IN ) :: IS_BC ! TRUE if BCON called this routine. ! FALSE if ICON called it LOGICAL, INTENT( INOUT ) :: L_WRITE_WARNING ! TRUE if warning should be printed ! when size distribution fails tests INTEGER, INTENT( IN ) :: COL, ROW, LAY INTEGER :: LSTAT( N_MODE ) ! 0 - Distribution is ok ! Nonzero values indicate problem with ! modal parameters. See below ! | Before After REAL(8) :: AER_PAR( 2, N_MODE, 8 ) !Track the modal parameters! | N, N !before and after the IC/BC! | M2WET, M2WET !check routine ! | M2DRY, M2DRY ! | M3WET, M3WET ! | M3DRY, M3DRY ! | dgwet, dgwet ! | dgdry, dgdry ! | sigma, sigma INTEGER, SAVE :: J, SFX, EFX, NFX, WFX LOGICAL, SAVE :: BNDY_PE_LOY, BNDY_PE_HIY, & BNDY_PE_LOX, BNDY_PE_HIX LOGICAL, SAVE :: FIRST_TIME = .TRUE. LOGICAL :: LBC REAL(8), PARAMETER :: F1PI = 1.d0 / REAL(pi,8) REAL(8), PARAMETER :: ONE_THIRD = 1.0d0 / 3.0d0 REAL(8), PARAMETER :: TWO_THIRDS = 2.0d0 / 3.0d0 CHARACTER( 199 ) :: XMSG2 = ' ' ! Definition of Distribution Error Statuses (LSTAT): ! 0 = All Parameters within Limits ! 4 = Standard Deviation is just barely invalid. ! Reset Surface Area but don't warn. (i.e. 1.04999 vs. 1.05) ! 5 = Diameter is just barely invalid but Standard Deviation ! is valid. Reset Number and Surface Area but don't warn. ! 6 = Diameter and Standard Deviation are barely invalid. ! Reset Number and Surface Area but don't warn. ! 11 = Mass is below limit. Reset distribution to minimum valid ! concentration (i.e. conmin). ! 12 = Number is below limit. Reset number and Surface Area ! 13 = Surface Area is below limit but diameter is valid. ! Set standard deviation to default (def_l2sg) and reset ! Surface Area. ! 14 = Standard Deviation is invalid. Reset Surface Area. ! 15 = Diameter is invalid but Standard Deviation is valid. ! Reset Number and Surface Area. ! 16 = Diameter and Standard Deviation are invalid. Reset ! Number and Surface Area. C Local variables: INTEGER :: IMODE, IT, IS REAL(8), ALLOCATABLE :: IBCON(:) REAL(8) :: NUM, M2, M3, M3DRY, M3WET, M2WET, M2DRY, & l2sg, dg, dgdry, dgwet, sg, l2sg_new REAL, Parameter :: KGPMG = 1.0E-9 !Kilogram per microgram m-3 IF ( FIRST_TIME ) THEN FIRST_TIME = .FALSE. #ifndef mpas ! Retrieve Info about boundary cells CALL SUBST_HI_LO_BND_PE ( 'R', BNDY_PE_LOY, BNDY_PE_HIY ) CALL SUBST_HI_LO_BND_PE ( 'C', BNDY_PE_LOX, BNDY_PE_HIX ) #endif SFX = 0 EFX = NCOLS + 1 NFX = NCOLS + NROWS + 3 WFX = 2 * NCOLS + NROWS + 4 END IF ! First Determine Whether or Not this is a true Boundary ! Condition Processor and GridCell IF ( IS_BC ) THEN LBC = .FALSE. IF ( BNDY_PE_LOY .AND. ROW .GT. SFX .AND. & ROW .LE. SFX+NCOLS ) LBC = .TRUE. IF ( BNDY_PE_HIX .AND. ROW .GT. EFX .AND. & ROW .LE. EFX+NROWS ) LBC = .TRUE. IF ( BNDY_PE_HIY .AND. ROW .GT. NFX .AND. & ROW .LE. NFX+NCOLS ) LBC = .TRUE. IF ( BNDY_PE_LOX .AND. ROW .GT. WFX .AND. & ROW .LE. WFX+NROWS ) LBC = .TRUE. IF ( .NOT. LBC ) RETURN END IF ! Initialize Aerosol ICBC Check Routine LSTAT = 0 AER_PAR = 0.0d0 dg = 0.0d0 sg = 0.0d0 CALL MAP_AERO() ALLOCATE( IBCON( SIZE(IBCON0) ) ) IBCON = REAL( IBCON0, 8 ) !Loop Through Each Aerosol Mode. Sum up the third moment, then calculate !the Dg and Sg of the mode and check to make sure they are valid. When !checking Dg, use wet or dry diameter limits depending on the state of !the incoming (initial or boundary) size distribution. DO IMODE = 1,N_MODE IF ( IS_BC ) THEN ! IBCON is stored in order of Transported Aerosols NUM = SUM( IBCON( : ), MASK = ( L_AETR_MODE( IMODE,: ) .AND. L_AETR_NUM ) ) M2 = SUM( IBCON( : ), MASK = ( L_AETR_MODE( IMODE,: ) .AND. L_AETR_SRF ) ) * F1PI M3DRY = SUM( IBCON( : ) * REAL( AEROCGRID_RHOINV * F6PI, 8), & MASK = ( L_AETR_MASS .AND. L_AETR_MODE( IMODE,: ) & .AND. L_AETR_DRY ) ) M3WET = SUM( IBCON( : ) * REAL( AEROCGRID_RHOINV * F6PI, 8), & MASK = ( L_AETR_MASS .AND. L_AETR_MODE( IMODE,: ) ) ) ELSE ! IBCON is stored in order of CGRID NUM = SUM( IBCON( : ), MASK = ( L_AESP_MODE( IMODE,: ) .AND. L_AESP_NUM ) ) M2 = SUM( IBCON( : ), MASK = ( L_AESP_MODE( IMODE,: ) .AND. L_AESP_SRF ) ) * F1PI M3DRY = SUM( IBCON( : ) * REAL( AEROCGRID_RHOINV * F6PI, 8), & MASK = ( L_AESP_MASS .AND. L_AESP_MODE( IMODE,: ) & .AND. L_AESP_DRY ) ) M3WET = SUM( IBCON( : ) * REAL( AEROCGRID_RHOINV * F6PI, 8), & MASK = ( L_AESP_MASS .AND. L_AESP_MODE( IMODE,: ) ) ) END IF ! Store M2 as Wet or Dry IF ( LM2WET ) THEN M2WET = M2 M2DRY = 0. ELSE M2WET = 0. M2DRY = M2 END IF ! If checking Boundary Conditions, the concentrations are ! already in kilograms, thus we do not need to convert them ! before applying aerosol density (kg m-3). If checking Initial ! Conditions, we do need to convert micrograms to kilograms. IF ( .NOT. IS_BC ) THEN M3WET = M3WET * REAL( KGPMG,8) M3DRY = M3DRY * REAL( KGPMG,8) END IF AER_PAR ( 1, IMODE, 1 ) = NUM AER_PAR ( 1, IMODE, 2 ) = M2WET AER_PAR ( 1, IMODE, 3 ) = M2DRY AER_PAR ( 1, IMODE, 4 ) = M3WET AER_PAR ( 1, IMODE, 5 ) = M3DRY AER_PAR ( 1, IMODE, 6 ) = 0. AER_PAR ( 1, IMODE, 7 ) = 0. AER_PAR ( 1, IMODE, 8 ) = 0. ! Begin Checking Aerosol Parameters. IF ( M3DRY .LT. 1.1e-30 .OR. M3WET .LT. 1.1e-30 ) THEN ! Dry or Wet Mass is below limit -> reset distribution LSTAT( IMODE ) = 11 ! Set Problematic Aerosol Mass to Minimum valid ! concentration (i.e. conmin) in Output Vector IF ( IS_BC ) THEN DO IT = 1,N_AE_TRNS IF ( L_AETR_MODE( IMODE,IT ) .AND. L_AETR_MASS( IT ) ) & IBCON(IT) = MAX( IBCON(IT), CONMIND ) END DO M3DRY = SUM( IBCON( : ) * REAL(AEROCGRID_RHOINV * F6PI,8), & MASK = ( L_AETR_MASS .AND. L_AETR_MODE( IMODE,: ) & .AND. L_AETR_DRY ) ) M3WET = SUM( IBCON( : ) * REAL(AEROCGRID_RHOINV * F6PI,8), & MASK = ( L_AETR_MASS .AND. L_AETR_MODE( IMODE,: ) ) ) ELSE DO IS = 1,N_AE_SPC IF ( L_AESP_MODE( IMODE,IS ) .AND. L_AESP_MASS( IS ) ) & IBCON(IS) = MAX( IBCON(IS), CONMIND ) END DO M3DRY = SUM( IBCON( : ) * REAL(AEROCGRID_RHOINV * F6PI,8), & MASK = ( L_AESP_MASS .AND. L_AESP_MODE( IMODE,: ) & .AND. L_AESP_DRY ) ) M3WET = SUM( IBCON( : ) * REAL(AEROCGRID_RHOINV * F6PI,8), & MASK = ( L_AESP_MASS .AND. L_AESP_MODE( IMODE,: ) ) ) END IF L2SG = REAL( DEF_L2SG( IMODE ),8) SG = EXP( SQRT( L2SG ) ) DGDRY = REAL( DEF_DIAM( IMODE ),8) ! Dry Diameter Default NUM = M3DRY * ( EXP( -4.5 * L2SG ) ) / ( DGDRY ) ** 3 M2DRY = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - L2SG ) DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD ) M2WET = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - L2SG ) ELSE IF ( NUM .LT. 1.1e-30 ) THEN ! Number is below limit -> reset Num and Surf with ! default dry diameter and default standard deviation LSTAT( IMODE ) = 12 L2SG = REAL( DEF_L2SG( IMODE ), 8) SG = EXP( SQRT( L2SG ) ) DGDRY = REAL( DEF_DIAM( IMODE ), 8) ! Dry Diameter Default NUM = M3DRY * ( EXP( -4.5 * L2SG ) ) / ( DGDRY ) ** 3 M2DRY = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - L2SG ) DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD ) M2WET = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - L2SG ) ELSE IF ( M2 .LT. 1.1e-30 .OR. .NOT. USE_M2 ) THEN ! Mass and Number are valid. Surface area is either invalid ! or the user has issued an override. The mass and number ! concentrations specify the dry and wet diameters, and the ! second moment will be generated by assuming a ! representative sigma. LSTAT( IMODE ) = 13 L2SG = REAL( DEF_L2SG( IMODE ), 8) SG = EXP( SQRT( L2SG ) ) DGDRY = ( M3DRY / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD ) M2DRY = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - L2SG ) DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD ) M2WET = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - L2SG ) ELSE ! All three moments are possibly valid. ! Diagnose and Check Standard Deviation IF ( LM2WET ) THEN L2SG = ( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - LOG( M2WET )) ELSE L2SG = ( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - LOG( M2DRY )) END IF sg = 1.0d0 IF ( L2SG .gt. 0.0d0 ) SG = EXP( SQRT( L2SG ) ) AER_PAR( 1, IMODE, 8 ) = SG IF ( (L2SG .LT. REAL( MIN_L2SG,8) .AND. L2SG .GT. 0.95d0 * REAL(MIN_L2SG,8)) .OR. & (L2SG .GT. REAL( MAX_L2SG,8) .AND. L2SG .LT. 1.05d0 * REAL(MAX_L2SG,8)) ) THEN ! Standard deviation is barely invalid. Don't trigger warning LSTAT( IMODE ) = 4 ELSE IF ( L2SG .LT. REAL( 0.95*MIN_L2SG,8) .OR. L2SG .GT. REAL(1.05*MAX_L2SG,8) ) THEN ! Standard deviation is invalid. Reset Standard Deviation LSTAT( IMODE ) = 14 END IF L2SG = MIN( MAX( L2SG, REAL(MIN_L2SG,8) ), REAL(MAX_L2SG,8) ) SG = EXP( SQRT( L2SG ) ) ! Diagnose and Check Dry Diameter against Limits DGDRY = ( M3DRY / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD ) AER_PAR( 1, IMODE, 7 ) = DGDRY DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD ) AER_PAR( 1, IMODE, 6 ) = DGWET IF ( (DGDRY .GT. REAL(0.95*MIN_DG_DRY(IMODE),8) .AND. DGDRY .LT. REAL(MIN_DG_DRY(IMODE),8)) .OR. & (DGDRY .GT. REAL(MAX_DG_DRY(IMODE),8) .AND. DGDRY .LT. REAL(1.05*MAX_DG_DRY(IMODE),8)) ) THEN ! Diameter is barely invalid. Don't trigger warning IF ( LSTAT( IMODE ) .EQ. 4 ) THEN LSTAT( IMODE ) = 6 ! Both sg and dg are barely invalid ELSE IF (LSTAT( IMODE ) .EQ. 0 ) THEN LSTAT( IMODE ) = 5 ! Just dg is barely invalid END IF ELSE IF ( DGDRY .LT. REAL(0.95*MIN_DG_DRY( IMODE ),8) .OR. & DGDRY .GT. REAL(1.05*MAX_DG_DRY(IMODE) ,8 ) ) THEN ! Diameter is invalid. Reset Diameter IF ( LSTAT( IMODE ) .EQ. 4 .OR. LSTAT( IMODE ) .EQ. 12 ) THEN LSTAT( IMODE ) = 16 ! Both dg and sg are invalid ELSE IF ( LSTAT( IMODE ) .EQ. 0 ) THEN LSTAT( IMODE ) = 15 ! Just dg is invalid END IF ENDIF DGDRY = MIN( MAX( DGDRY, MIN_DG_DRY(IMODE) ), MAX_DG_DRY(IMODE) ) ! Recalculate Number IF ( LSTAT( IMODE ) .GT. 0 ) & NUM = M3DRY * ( EXP( -4.5 * L2SG ) ) / ( DGDRY ) ** 3 ! Recalculate Dry Second Moment M2DRY = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3DRY ) - L2SG ) ! Recalculate Wet Distribution Parameters DGWET = ( M3WET / NUM * EXP( -4.5 * L2SG ) ) ** ( ONE_THIRD ) M2WET = EXP( ONE_THIRD * LOG( NUM ) + TWO_THIRDS * LOG( M3WET ) - L2SG ) ENDIF ! Export Number Concentration and Surface Area Concentration IF ( LM2WET ) THEN M2 = M2WET ELSE M2 = M2DRY END IF IF ( IS_BC ) THEN DO IT = 1,N_AE_TRNS IF ( L_AETR_MODE( IMODE,IT ) .AND. L_AETR_NUM( IT ) ) IBCON0(IT) = REAL(NUM,4) IF ( L_AETR_MODE( IMODE,IT ) .AND. L_AETR_SRF( IT ) ) IBCON0(IT) = REAL(M2,4) * PI END DO ELSE DO IS = 1,N_AE_SPC IF ( L_AESP_MODE( IMODE,IS ) .AND. L_AESP_NUM( IS ) ) IBCON0(IS) = REAL(NUM,4) IF ( L_AESP_MODE( IMODE,IS ) .AND. L_AESP_SRF( IS ) ) IBCON0(IS) = REAL(M2,4) * PI END DO END IF !Save Modal Properties After the Check AER_PAR( 2, IMODE, 1 ) = NUM AER_PAR( 2, IMODE, 2 ) = M2WET AER_PAR( 2, IMODE, 3 ) = M2DRY AER_PAR( 2, IMODE, 4 ) = M3WET AER_PAR( 2, IMODE, 5 ) = M3DRY AER_PAR( 2, IMODE, 6 ) = DGWET AER_PAR( 2, IMODE, 7 ) = DGDRY AER_PAR( 2, IMODE, 8 ) = SG !Print warning if any aerosol BC or IC violated the size !distribution parameters IF ( LSTAT( IMODE ) .GT. 10 ) THEN IF ( IS_BC ) THEN IF ( L_WRITE_WARNING ) THEN L_WRITE_WARNING = .FALSE. WRITE( XMSG2, '(A)' ), & 'ATTENTION: Applying fix to aerosol Boundary' // & ' Conditions for aerosol modes.' // & ' Set verbose_rdbcon preprocessor flag to' // & ' learn more.' WRITE( LOGDEV, * ) CALL LOG_MESSAGE( LOGDEV, XMSG2 ) WRITE( LOGDEV, * ) END IF #ifdef verbose_rdbcon WRITE( LOGDEV,* ) WRITE ( LOGDEV,'(7x,A55,I1,/,9x,A10,I4,A7,I3,A10,I2,/,7x,A20,I1,A42,/,9x,A51,/, & 9x,A19,1x,A3,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A2,/, & 27x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,4x,F7.3,/, & 9x,A19,1x,A3,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A2,/, & 27x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,4x,F7.3)'), & 'Warning: Applying Aerosol Boundary Conditions for mode ',IMODE, & 'BC Index: ',ROW,' Lay: ',LAY,' Status: ',LSTAT(IMODE), & 'The Offending Mode (',IMODE,') had diameter and/or sigma out of bounds.', & 'It was overwritten by changing the Num and SrfArea.', & 'Modal Props Before:','Num','M2WET','M2DRY','M3WET','M3DRY','DGWET','DGDRY','Sg',(AER_PAR(1,IMODE,j),j=1,8), & 'Modal Props After: ','Num','M2WET','M2DRY','M3WET','M3DRY','DGWET','DGDRY','Sg',(AER_PAR(2,IMODE,j),j=1,8) WRITE( LOGDEV,* ) #endif ELSE IF ( L_WRITE_WARNING ) THEN L_WRITE_WARNING = .FALSE. WRITE( XMSG2, '(A)' ), & 'ATTENTION: Applying fix to aerosol Initial' // & ' Conditions for aerosol modes.' // & ' Set verbose_loadcgrid preprocessor flag to' // & ' learn more.' WRITE( LOGDEV, * ) CALL LOG_MESSAGE( LOGDEV, XMSG2 ) WRITE( LOGDEV, * ) END IF #ifdef verbose_loadcgrid WRITE( LOGDEV, * ) WRITE ( logdev, '(7x,A55,I1,/,9x,A5,I3,A7,I3,A7,I3,A10,I2,/,7x,A20,I1,A42,/,9x,A51,/, & 9x,A19,1x,A3,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A2,/, & 27x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,4x,F7.3,/, & 9x,A19,1x,A3,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A5,8x,A2,/, & 27x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,1x,E11.3,4x,F7.3)'), & 'Warning: Applying Aerosol Initial Conditions for mode ',IMODE, & 'Col: ',COL,' Row: ',ROW,' Lay: ',LAY,' Status: ',LSTAT(IMODE), & 'The Offending Mode (',IMODE,') had diameter and/or sigma out of bounds.', & 'It was overwritten by changing the Num and SrfArea.', & 'Modal Props Before:','Num','M2WET','M2DRY','M3WET','M3DRY','DGWET','DGDRY','Sg',(AER_PAR(1,IMODE,j),j=1,8), & 'Modal Props After: ','Num','M2WET','M2DRY','M3WET','M3DRY','DGWET','DGDRY','Sg',(AER_PAR(2,IMODE,j),j=1,8) WRITE( LOGDEV,* ) #endif END IF ENDIF ENDDO End Subroutine CHECK_AERO_ICBC !----------------------------------------------------------------------- Subroutine CALC_AERODIST_PARAMS( INIT_TIME ) ! Subroutine calculates the wet and then dry aerosol distribution parameters ! and stores them in public arrays to be passed to the diagnostic ! array. !----------------------------------------------------------------------- IMPLICIT NONE LOGICAL, INTENT( IN ) :: INIT_TIME CALL CALCMOMENTS( .TRUE. ) CALL GETPAR( FIXED_sg ) WET_AERO_DIAM( : ) = AEROMODE_DIAM( : ) * 1.0E6 ! um WET_AERO_M2 ( : ) = MOMENT2_CONC( : ) WET_AERO_M3 ( : ) = MOMENT3_CONC( : ) WET_AERO_DENS( : ) = AEROMODE_DENS( : ) CALL CALCMOMENTS( .FALSE. ) CALL GETPAR( FIXED_sg ) DRY_AERO_DIAM( : ) = AEROMODE_DIAM( : ) * 1.0E6 ! um DRY_AERO_M2 ( : ) = MOMENT2_CONC( : ) DRY_AERO_M3 ( : ) = MOMENT3_CONC( : ) DRY_AERO_DENS( : ) = AEROMODE_DENS( : ) END SUBROUTINE CALC_AERODIST_PARAMS End Module aero_data