Merge pull request #637 from USEPA/master

Update Research Branch with Master Improvements
USEPA · Apr 8, 2020 · 6bf6a3c · 6bf6a3c
2 parents 2ac32d2 + 33525ef
commit 6bf6a3c
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diff --git a/CCTM/src/MECHS/cb6r3_ae7_aq/SpecDef_cb6r3_ae7_aq.txt b/CCTM/src/MECHS/cb6r3_ae7_aq/SpecDef_cb6r3_ae7_aq.txt
@@ -129,7 +129,7 @@ AMNJ            ,ug m-3     ,AMNJ[1]
 ASOILJ          ,ug m-3     ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]
 
 !! Non-Crustal Inorganic Particle Species
-AHPLUSIJ        ,ug m-3     ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0
+AHPLUSIJ        ,umol m-3   ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0
 ANAK            ,ug m-3     ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]
 AMGK            ,ug m-3     ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]
 AKK             ,ug m-3     ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]
@@ -270,6 +270,14 @@ PM25_TOT        ,ug m-3     ,ATOTI[0]*PM25AT[3]+ATOTJ[0]*PM25AC[3]+ATOTK[0]*PM25
 PM25_UNSPEC1    ,ug m-3     ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \
                            +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])
 
+!! Fine particle acidity (pH). pH is undefined if there is no aerosol water. 
+!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will 
+!have large negative value (-9.999E36) when pH is not to be trusted.
+!AH2OIJ         ,ug m-3     ,AH2OI[1]+AH2OJ[1]
+!HPMOLAL        ,mol kg-1   ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0
+!ACIDITYTEMP    ,           ,-1*LOG10(HPMOLAL[0])
+!FINEPHF        ,           ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36
+
 !! PM10.0 and Coarse-Sized Species
 PM10            ,ug m-3     ,ATOTI[0]*PM10AT[3]+ATOTJ[0]*PM10AC[3]+ATOTK[0]*PM10CO[3]
 

diff --git a/CCTM/src/MECHS/cb6r3m_ae7_kmtbr/SpecDef_cb6r3m_ae7_kmtbr.txt b/CCTM/src/MECHS/cb6r3m_ae7_kmtbr/SpecDef_cb6r3m_ae7_kmtbr.txt
@@ -130,7 +130,7 @@ AMNJ            ,ug m-3     ,AMNJ[1]
 ASOILJ          ,ug m-3     ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]
 
 !! Non-Crustal Inorganic Particle Species
-AHPLUSIJ        ,ug m-3     ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0
+AHPLUSIJ        ,umol m-3   ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0
 ANAK            ,ug m-3     ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]
 AMGK            ,ug m-3     ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]
 AKK             ,ug m-3     ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]
@@ -271,6 +271,14 @@ PM25_TOT        ,ug m-3     ,ATOTI[0]*PM25AT[3]+ATOTJ[0]*PM25AC[3]+ATOTK[0]*PM25
 PM25_UNSPEC1    ,ug m-3     ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \
                            +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])
 
+!! Fine particle acidity (pH). pH is undefined if there is no aerosol water.
+!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will
+!have large negative value (-9.999E36) when pH is not to be trusted.
+!AH2OIJ         ,ug m-3     ,AH2OI[1]+AH2OJ[1]
+!HPMOLAL        ,mol kg-1   ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0
+!ACIDITYTEMP    ,           ,-1*LOG10(HPMOLAL[0])
+!FINEPHF        ,           ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36
+
 !! PM10.0 and Coarse-Sized Species
 PM10            ,ug m-3     ,ATOTI[0]*PM10AT[3]+ATOTJ[0]*PM10AC[3]+ATOTK[0]*PM10CO[3]
 

diff --git a/CCTM/src/MECHS/saprc07tic_ae7i_aq/SpecDef_saprc07tic_ae7i_aq.txt b/CCTM/src/MECHS/saprc07tic_ae7i_aq/SpecDef_saprc07tic_ae7i_aq.txt
@@ -122,7 +122,7 @@ AMNJ            ,ug m-3    ,AMNJ[1]
 ASOILJ          ,ug m-3    ,2.20*AALJ[1]+2.49*ASIJ[1]+1.63*ACAJ[1]+2.42*AFEJ[1]+1.94*ATIJ[1]
 
 !! Non-Crustal Inorganic Particle Species
-AHPLUSIJ        ,ug m-3    ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0
+AHPLUSIJ        ,umol m-3  ,(AH3OPI[1]+AH3OPJ[1])*1.0/19.0
 ANAK            ,ug m-3    ,0.8373*ASEACAT[1]+0.0626*ASOIL[1]+0.0023*ACORS[1]
 AMGK            ,ug m-3    ,0.0997*ASEACAT[1]+0.0170*ASOIL[1]+0.0032*ACORS[1]
 AKK             ,ug m-3    ,0.0310*ASEACAT[1]+0.0242*ASOIL[1]+0.0176*ACORS[1]
@@ -274,6 +274,14 @@ PM25_TOT        ,ug m-3    ,ATOTI[0]*PM25AT[3]+ATOTJ[0]*PM25AC[3]+ATOTK[0]*PM25C
 PM25_UNSPEC1    ,ug m-3    ,PM25_TOT[0]-(PM25_CL[0]+PM25_EC[0]+PM25_NA[0]+PM25_NH4[0] \
                            +PM25_NO3[0]+PM25_OC[0]+PM25_SOIL[0]+PM25_SO4[0])
 
+!! Fine particle acidity (pH). pH is undefined if there is no aerosol water.
+!Do not trust predictions when hourly water is <0.01 ug m-3. FINEPHF will
+!have large negative value (-9.999E36) when pH is not to be trusted.
+!AH2OIJ         ,ug m-3     ,AH2OI[1]+AH2OJ[1]
+!HPMOLAL        ,mol kg-1   ,AHPLUSIJ[0]/AH2OIJ[0]*1000.0
+!ACIDITYTEMP    ,           ,-1*LOG10(HPMOLAL[0])
+!FINEPHF        ,           ,AH2OIJ[0]>0.01 ? ACIDITYTEMP[0] : -9.999E36
+
 !! PM10.0 and Coarse-Sized Species
 PM10            ,ug m-3    ,ATOTI[0]*PM10AT[3]+ATOTJ[0]*PM10AC[3]+ATOTK[0]*PM10CO[3]
 

diff --git a/CCTM/src/vdiff/acm2_m3dry/VDIFF_MAP.F b/CCTM/src/vdiff/acm2_m3dry/VDIFF_MAP.F
@@ -250,11 +250,7 @@ FUNCTION VDIFF_MAP_INIT( ) RESULT ( SUCCESS )
          END DO
 
          CMPSPC( 1 ) = 'NH3_Emis'
-#ifdef stage_opt
          CMPSPC( 2 ) = 'NH3_Flux'
-#elif m3dry_opt
-         CMPSPC( 2 ) = 'NH3_Dep '
-#endif
          CMPSPC( 3 ) = 'NH3_Stom'
          CMPSPC( 4 ) = 'NH3_Cut '
          CMPSPC( 5 ) = 'NH3_Soil'

diff --git a/CCTM/src/vdiff/acm2_m3dry/opddep.F b/CCTM/src/vdiff/acm2_m3dry/opddep.F
@@ -63,10 +63,6 @@ SUBROUTINE OPDDEP ( JDATE, JTIME, TSTEP, N_SPC_DDEP )
       CHARACTER( 16 ) :: PNAME = 'OPDDEP'
       CHARACTER( 96 ) :: XMSG = ' '
 
-! component flux varialbes      
-      INTEGER, PARAMETER :: LCMP  = 8
-      CHARACTER( 16 ), SAVE :: CMPSPC( LCMP )
-
       INTEGER      V, N, L     ! loop induction variables
       INTEGER      STRT, FINI  ! loop induction variables
 
@@ -76,15 +72,6 @@ SUBROUTINE OPDDEP ( JDATE, JTIME, TSTEP, N_SPC_DDEP )
 
       IF ( .NOT. OPEN3( CTM_DRY_DEP_1, FSRDWR3, PNAME ) ) THEN
 
-         CMPSPC( 1 ) = 'NH3_Emis'
-         CMPSPC( 2 ) = 'NH3_Dep '
-         CMPSPC( 3 ) = 'NH3_Stom'
-         CMPSPC( 4 ) = 'NH3_Cut '
-         CMPSPC( 5 ) = 'NH3_Soil'
-         CMPSPC( 6 ) = 'NH3_Ag  '
-         CMPSPC( 7 ) = 'NH3_Nat '
-         CMPSPC( 8 ) = 'NH3_Wat '
-
          XMSG = 'Could not open ' // CTM_DRY_DEP_1 // ' file for update - '
      &        // 'try to open new'
          CALL M3MESG( XMSG )
@@ -176,14 +163,14 @@ SUBROUTINE OPDDEP ( JDATE, JTIME, TSTEP, N_SPC_DDEP )
 
          IF ( ABFLUX ) THEN
             VTYPE3D( V ) = M3REAL
-            VNAME3D( V ) = 'NH3_DDEP'
+            VNAME3D( V ) = 'NH3_Flux'
             UNITS3D( V ) = 'kg/hectare'
-            VDESC3D( V ) = 'hourly NH3_DryDep values'
+            VDESC3D( V ) = 'hourly bidi flux values'
 
             VTYPE3D( V+1 ) = M3REAL
-            VNAME3D( V+1 ) = 'NH3_EMIS'
+            VNAME3D( V+1 ) = 'NH3_Emis'
             UNITS3D( V+1 ) = 'kg/hectare'
-            VDESC3D( V+1 ) = 'hourly NH3_EMIS values'
+            VDESC3D( V+1 ) = 'hourly NH3_Emis values'
          END IF
 
          FDESC3D( 1 ) = 'hourly 1-layer cross-point RADM dry deposition data'

diff --git a/CCTM/src/vdiff/acm2_m3dry/vdiffproc.F b/CCTM/src/vdiff/acm2_m3dry/vdiffproc.F
@@ -148,7 +148,7 @@ SUBROUTINE VDIFF ( CGRID, JDATE, JTIME, TSTEP )
       REAL     :: SEDDY ( NLAYS,NCOLS,NROWS )   ! flipped EDDYV
       REAL        DTSEC                         ! model time step in seconds
 
-      REAL     :: DDEP_NH3( NCOLS,NROWS )
+      REAL     :: NH3_FLUX( NCOLS,NROWS )
 
       REAL, ALLOCATABLE, SAVE :: VSED_AE( :,:,:,: )
       INTEGER, SAVE :: NH3_HIT
@@ -157,8 +157,8 @@ SUBROUTINE VDIFF ( CGRID, JDATE, JTIME, TSTEP )
       INTEGER     ASTAT
       INTEGER     C, R, L, S, V, I, J, OFF      ! loop induction variables
       INTEGER     MDATE, MTIME, MSTEP           ! internal simulation date&time
-      CHARACTER(LEN=8), PARAMETER :: NAME_NH3_EMIS = 'NH3_EMIS'
-      CHARACTER(LEN=8), PARAMETER :: NAME_NH3_DDEP = 'NH3_DDEP'
+      CHARACTER(LEN=8), PARAMETER :: NAME_NH3_EMIS = 'NH3_Emis'
+      CHARACTER(LEN=8), PARAMETER :: NAME_NH3_FLUX = 'NH3_Flux'
 
       INTERFACE
          SUBROUTINE PA_UPDATE_EMIS ( PNAME, VDEMIS_DIFF, JDATE, JTIME, TSTEP )
@@ -408,7 +408,6 @@ END SUBROUTINE SA_OPWDDEP
       IF ( WSTEP .EQ. 0 ) THEN
          DDEP = 0.0                      ! array assignment
          ICMP = 0.0                      ! array assignment
-         DDEP_NH3 = 0.0
 #ifdef sens
          S_DDEP = 0.0
 #endif
@@ -486,7 +485,14 @@ END SUBROUTINE SA_OPWDDEP
             END IF   ! .NOT. IO_PE_INCLUSIVE
          END IF
 #endif
-
+         IF ( ABFLUX ) THEN
+           DO R = 1, NROWS
+               DO C = 1, NCOLS
+                  NH3_FLUX(C,R) = DDEP( DD2DV(NH3_HIT),C,R )
+                  DDEP( DD2DV(NH3_HIT),C,R ) = NH3_EMIS(C,R)+NH3_FLUX(C,R)
+               END DO
+            END DO
+         ENDIF
          DO V = 1, N_SPC_DDEP
             S = DD2DV( V )
             DO R = 1, NROWS
@@ -503,14 +509,9 @@ END SUBROUTINE SA_OPWDDEP
          END DO 
 C Write extra arrays for NH3 emission and net flux for bidi
          IF ( ABFLUX ) THEN
-           DO R = 1, NROWS
-               DO C = 1, NCOLS
-                  DDEP_NH3(C,R) = NH3_EMIS(C,R)+DDEP( DD2DV(NH3_HIT),C,R )
-               END DO
-            END DO
 
-            IF ( .NOT. WRITE3( CTM_DRY_DEP_1, NAME_NH3_DDEP,
-     &                 MDATE, MTIME, DDEP_NH3 ) ) THEN
+            IF ( .NOT. WRITE3( CTM_DRY_DEP_1, NAME_NH3_FLUX,
+     &                 MDATE, MTIME, NH3_FLUX ) ) THEN
                XMSG = 'Could not write ' // CTM_DRY_DEP_1 // ' file'
                CALL M3EXIT( PNAME, MDATE, MTIME, XMSG, XSTAT1 )
             END IF