forked from USEPA/CMAQ
-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathAERO_DATA.F
2151 lines (1877 loc) · 114 KB
/
AERO_DATA.F
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
!------------------------------------------------------------------------!
! 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
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 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
#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 = 135 ! number of aero species
Integer, Parameter :: n_mode = 3 ! number of modes:
Integer, Parameter :: iait = 1 ! 1 = Aitken
Integer, Parameter :: iacc = 2 ! 2 = accumulation
Integer, Parameter :: icor = 3 ! 3 = coarse
Logical, Parameter :: reqd_modes( n_mode ) = (/ T,T,T /)
Character(1), Parameter :: modesuff( n_mode ) = (/ 'I','J','K' /)
Integer, Save :: n_aerospc ! number of aero species
C Default minimum concentration
Real, Parameter :: conmin = 1.0E-23 ! [ ug m-3 ]
Real(8), Parameter :: conminD = 1.0D-23 ! [ ug m-3 ]
Real, Parameter :: evapmin = 1.0E-20 ! [ ug m-3 ]
Real(8), Parameter :: evapminD= 1.0D-20 ! [ ug m-3 ]
Real, Parameter :: cm_set( n_mode ) = (/conmin, conmin, conmin/)
Real, Parameter :: cm_so4( n_mode ) = (/conmin, conmin, conmin/)
Real, Parameter :: cm_cor( n_mode ) = (/conmin, conmin, conmin/)
Real, Parameter :: def_diam( n_mode ) = (/ 15.0E-9, 80.0E-9, 600.0E-9 /) ! default background mean diameter for each mode
Real, Parameter :: min_dg_dry( n_mode ) = (/ 1.0E-9, 30.0E-9, 120.0E-9 /)
Real, Parameter :: max_dg_dry( n_mode ) = (/ 80.0E-9, 500.0E-9, 100.0E-6 /)
Real, Parameter :: min_dg_wet( n_mode ) = (/ 1.0E-9, 30.0E-9, 120.0E-9 /)
Real, Parameter :: max_dg_wet( n_mode ) = (/ 160.0E-9,1500.0E-9,300.0E-6 /)
Real, Parameter :: def_sigma_g( n_mode ) = (/ 1.70, 2.0, 2.2 /) ! default background sigma-g for each mode
Real, Parameter :: min_sigma_g = 1.05
Real, Parameter :: max_sigma_g = 2.5001
Real, Save :: def_l2sg( n_mode ), max_l2sg, min_l2sg
C If FIXED_sg = T, atkn & accum std. dev. are not changed by GETPAR
C If FIXED_sg = F, the second moment will be adjusted if the standard
C deviation (sigma_g) is outside of the bounds specified
C by min_sigma_g and max_sigma_g.
LOGICAL, PARAMETER :: FIXED_sg = .FALSE.
C Flag to obtain coagulation coefficients
C by analytical approximation (True) or by Gauss-Hermite quadrature (False)
Logical, Parameter :: fastcoag_flag = .True.
Integer, Parameter :: coag_moments = 2 ! Number of moments to consider
! for coagulation
! 2 = number and volume
! 3 = number, volume, and surface area
C-------------------------------------------------------------------------------------------------------
Type spcs_type
Character( 16 ) :: name( n_mode ) ! mode-dependent names of aerosol species
Character( 16 ) :: bulkname ! mode-independent names of aerosol species
Logical :: lait ! Available in Aitken Mode
Logical :: lacc ! Available in Accumulation Mode
Logical :: lcor ! Available in Coarse Mode
Real :: min_conc( n_mode ) ! minimum concentration values for each mode
Real :: density ! density [ kg m-3 ]
Character( 16 ) :: gasname ! Gas species in equilibrium with this aerosol component
Character( 16 ) :: ctrname ! Rxn Counter Species used to calculate production of
! this component if irreversible partitioning is assumed
Real :: ctr_yield ! Yield of Reaction Counter when forming condensed mass
Character( 3 ) :: voltype ! Type of production to be implemented for this species.
! Options are: REV = Reversible, IRV = Irreversible,
! NVL = Nonvolatile
Logical :: no_M2Wet ! flag to exclude from 2nd moment during transport
Logical :: tracer ! tracer flag; does have not mass
Integer :: charge ! electroneutrality charge
Real :: visual_idx ! visual index factor [ m2 g-1 ]
Real :: visual_idx_large ! visual index factor [ m2 g-1 ] for large mode, if not applicable, same value as visual_idx
Logical :: om ! flag for organic aerosols
Character( 16 ) :: optic_surr ! optical surrogate name
Real :: kappaorg ! hygroscopicity parameter for organic aerosol (excluding POC+NCOM which must be calculated)
End Type spcs_type
Type( spcs_type ), Allocatable, Save :: aerospc ( : )
! Master List of Aerosol Species and Properties
Type spcs_list_type
Character( 16 ) :: bulkname ! mode-independent names of aerosol species
Logical :: lait ! Available in Aitken Mode
Logical :: lacc ! Available in Accumulation Mode
Logical :: lcor ! Available in Coarse Mode
Real :: min_conc( n_mode ) ! minimum concentration values for each mode
Real :: density ! density [ kg m-3 ]
Character( 16 ) :: gasname ! Gas species in equilibrium with this aerosol component
Character( 16 ) :: ctrname ! Rxn Counter Species used to calculate production of
! this component if irreversible partitioning is assumed
Real :: ctr_yield ! Yield of Reaction Counter when forming condensed mass
Character( 3 ) :: voltype ! Type of production to be implemented for this species.
! Options are: REV = Reversible, IRV = Irreversible,
! NVL = Nonvolatile
Logical :: no_M2Wet ! flag to exclude from 2nd moment during transport
Logical :: tracer ! tracer flag; does have not mass
Integer :: charge ! electroneutrality charge
Real :: visual_idx ! visual index factor [ m2 g-1 ]
Real :: visual_idx_large ! visual index factor [ m2 g-1 ] for large mode, if not applicable, same value as visual_idx
Logical :: om ! flag for organic aerosols
Character( 16 ) :: optic_surr ! optical surrogate name
Real :: kappaorg ! hygroscopicity parameter for organic aerosol (excluding POC+NCOM which must be calculated)
End Type spcs_list_type
Type( spcs_list_type ), Parameter :: aerolist( n_aerolist ) = (/
C Visidx_Large
C no_M2Wet Tracer |
C | | Charge | OM
C Name T A C Min_Con Density Gas-Name CTR-Name Yield Vol | | | Visidx | | OptSurr korg
C ---------- - - - ------- ------- ---------- --------- ----- ----- + + + ------ --- + -------- -----
& spcs_list_type('ASO4 ',T,T,T, cm_so4, 1800.0, 'SULF ','SULRXN ',1.0 ,'IRV',F,F, -2, 2.2, 4.8,F, 'SOLUTE', 0.00), ! Sulfate
& spcs_list_type('ANO3 ',T,T,T, cm_set, 1800.0, 'HNO3 ',' ',0.0 ,'REV',F,F, -1, 2.4, 5.1,F, 'SOLUTE', 0.00), ! Nitrate
& spcs_list_type('ACL ',T,T,T, cm_set, 2200.0, 'HCL ',' ',0.0 ,'REV',F,F, -1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! Chloride
& spcs_list_type('ANH4 ',T,T,T, cm_set, 1800.0, 'NH3 ',' ',0.0 ,'REV',F,F, 1, 0.0, 0.0,F, 'SOLUTE', 0.00), ! Ammonium
& spcs_list_type('ANA ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 1, 1.7, 1.7,F, 'SOLUTE', 0.00), ! Sodium
& spcs_list_type('AMG ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 2, 1.0, 1.0,F, 'DUST ', 0.00), ! Magnesium
& spcs_list_type('AK ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 1, 1.0, 1.0,F, 'DUST ', 0.00), ! Potassium
& spcs_list_type('ACA ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 2, 1.0, 1.0,F, 'DUST ', 0.00), ! Calcium
& spcs_list_type('APOC ',T,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.00), ! POA Carbon
& spcs_list_type('APNCOM ',T,T,F, cm_set, 1400.0, ' ',' ',0.0 ,'NVL',F,F, 0, 2.8, 6.1,T, 'DUST ', 0.00), ! POA Non-Carbon #10
& spcs_list_type('AEC ',T,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 10.0,10.0,F, 'SOOT ', 0.00), ! Elemental (Black) Carbon
& spcs_list_type('AFE ',F,T,F, cm_set, 2200.0, ' ',' ',0.0 ,'NVL',F,F, 0, 1.0, 1.0,F, 'DUST ', 0.00), ! Iron
& spcs_list_type('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
& 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 #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
& /)
! 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 utilio_defn
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