| 1 | !$Id: nitrates.F90 104 2008-12-23 10:28:51Z acosce $ |
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| 2 | !! ========================================================================= |
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| 3 | !! INCA - INteraction with Chemistry and Aerosols |
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| 4 | !! |
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| 5 | !! Copyright Laboratoire des Sciences du Climat et de l'Environnement (LSCE) |
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| 6 | !! Unite mixte CEA-CNRS-UVSQ |
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| 7 | !! |
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| 8 | !! Contributors to this INCA subroutine: |
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| 9 | !! |
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| 10 | !! Didier Hauglustaine, LSCE, hauglustaine@cea.fr |
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| 11 | !! |
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| 12 | !! This software is a computer program whose purpose is to simulate the |
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| 13 | !! atmospheric gas phase and aerosol composition. The model is designed to be |
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| 14 | !! used within a transport model or a general circulation model. This version |
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| 15 | !! of INCA was designed to be coupled to the LMDz GCM. LMDz-INCA accounts |
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| 16 | !! for emissions, transport (resolved and sub-grid scale), photochemical |
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| 17 | !! transformations, and scavenging (dry deposition and washout) of chemical |
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| 18 | !! species and aerosols interactively in the GCM. Several versions of the INCA |
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| 19 | !! model are currently used depending on the envisaged applications with the |
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| 20 | !! chemistry-climate model. |
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| 21 | !! |
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| 22 | !! This software is governed by the CeCILL license under French law and |
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| 23 | !! abiding by the rules of distribution of free software. You can use, |
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| 24 | !! modify and/ or redistribute the software under the terms of the CeCILL |
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| 25 | !! license as circulated by CEA, CNRS and INRIA at the following URL |
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| 26 | !! "http://www.cecill.info". |
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| 27 | !! |
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| 28 | !! As a counterpart to the access to the source code and rights to copy, |
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| 29 | !! modify and redistribute granted by the license, users are provided only |
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| 30 | !! with a limited warranty and the software's author, the holder of the |
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| 31 | !! economic rights, and the successive licensors have only limited |
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| 32 | !! liability. |
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| 33 | !! |
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| 34 | !! In this respect, the user's attention is drawn to the risks associated |
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| 35 | !! with loading, using, modifying and/or developing or reproducing the |
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| 36 | !! software by the user in light of its specific status of free software, |
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| 37 | !! that may mean that it is complicated to manipulate, and that also |
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| 38 | !! therefore means that it is reserved for developers and experienced |
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| 39 | !! professionals having in-depth computer knowledge. Users are therefore |
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| 40 | !! encouraged to load and test the software's suitability as regards their |
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| 41 | !! requirements in conditions enabling the security of their systems and/or |
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| 42 | !! data to be ensured and, more generally, to use and operate it in the |
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| 43 | !! same conditions as regards security. |
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| 44 | !! |
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| 45 | !! The fact that you are presently reading this means that you have had |
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| 46 | !! knowledge of the CeCILL license and that you accept its terms. |
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| 47 | !! ========================================================================= |
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| 48 | |
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| 49 | #include <inca_define.h> |
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| 50 | |
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| 51 | #ifdef AER |
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| 52 | #ifndef DUSS |
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| 53 | SUBROUTINE AERTHERM (& |
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| 54 | delt ,& |
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| 55 | temp ,& |
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| 56 | relhum ,& |
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| 57 | pmid ,& |
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| 58 | hnm ,& |
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| 59 | asno3m_p_nh3hno3 ,& |
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| 60 | asnh4m_p_nh3hno3 ,& |
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| 61 | hno3_p_nh3hno3 ,& |
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| 62 | nh3_p_nh3hno3 ,& |
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| 63 | mmr ,& |
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| 64 | vmr ) |
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| 65 | |
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| 66 | USE INCA_DIM |
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| 67 | USE CONST_MOD |
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| 68 | USE AEROSOL_DIAG |
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| 69 | USE AEROSOL_MOD |
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| 70 | USE SPECIES_NAMES |
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| 71 | USE CHEM_MODS, ONLY : invariants |
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| 72 | USE PRINT_INCA |
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| 73 | USE RATE_INDEX_MOD |
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| 74 | |
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| 75 | IMPLICIT NONE |
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| 76 | |
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| 77 | !----------------------------------------------------------------- |
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| 78 | ! ... Dummy arguments |
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| 79 | !----------------------------------------------------------------- |
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| 80 | REAL, INTENT(in) :: delt ! timestep in seconds |
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| 81 | REAL, INTENT(in) :: temp(PLON,PLEV) ! temperature |
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| 82 | REAL, INTENT(in) :: pmid(PLON,PLEV) ! midpoint pressure in Pa |
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| 83 | REAL, INTENT(in) :: hnm(PLON,PLEV) ! total concentration |
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| 84 | REAL, INTENT(inout) :: vmr(PLON,PLEV,PCNST) ! xported species ( vmr ) |
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| 85 | REAL, INTENT(inout) :: mmr(PLON,PLEV,PCNST) ! xported species ( mmr ) |
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| 86 | REAL, INTENT(inout) :: relhum(PLON,PLEV) ! relative humidity |
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| 87 | REAL, INTENT(inout) :: asno3m_p_nh3hno3(PLON,PLEV) ! for diagnostics |
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| 88 | REAL, INTENT(inout) :: asnh4m_p_nh3hno3(PLON,PLEV) ! for diagnostics |
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| 89 | REAL, INTENT(inout) :: hno3_p_nh3hno3(PLON,PLEV) ! for diagnostics |
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| 90 | REAL, INTENT(inout) :: nh3_p_nh3hno3(PLON,PLEV) ! for diagnostics |
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| 91 | |
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| 92 | !----------------------------------------------------------------- |
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| 93 | ! ... Local variables |
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| 94 | !----------------------------------------------------------------- |
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| 95 | INTEGER :: i, j, k |
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| 96 | |
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| 97 | REAL, DIMENSION(PLON,PLEV) :: tinv |
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| 98 | REAL, DIMENSION(PLON,PLEV) :: relhumloc, relhum1 |
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| 99 | REAL, DIMENSION(PLON,PLEV) :: hno3, nh3, nh4p, no3m, so42m, nh4pini |
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| 100 | REAL, DIMENSION(PLON,PLEV) :: tn, ta, tadisp, taini, tnta, ts |
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| 101 | REAL, DIMENSION(PLON,PLEV) :: tam, tsm |
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| 102 | REAL, DIMENSION(PLON,PLEV) :: drh !0 to 1 as relhum |
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| 103 | REAL, DIMENSION(PLON,PLEV) :: kps, kpl, kpl1, kpl2, kpl3 |
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| 104 | REAL, DIMENSION(PLON,PLEV) :: zrho |
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| 105 | REAL, DIMENSION(PLON,PLEV) :: vmr0_no3m,vmr0_nh4p,vmr0_nh3,vmr0_hno3 |
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| 106 | |
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| 107 | REAL, PARAMETER :: mwnh3 = 17.e-3 !Kg/mol |
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| 108 | REAL, PARAMETER :: mwhno3 = 63.e-3 |
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| 109 | REAL, PARAMETER :: mwnh4 = 18.e-3 |
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| 110 | REAL, PARAMETER :: mwno3 = 62.e-3 |
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| 111 | REAL, PARAMETER :: mwso4 = 96.e-3 |
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| 112 | REAL, PARAMETER :: mwa = 29.e-3 |
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| 113 | |
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| 114 | REAL :: zso4 |
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| 115 | REAL :: wrk1, wrk2 |
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| 116 | REAL :: tfac, tautot, hno3eq, nh3eq |
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| 117 | |
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| 118 | zrho(:,:) = pmid(:,:)/(temp(:,:)*287.04) |
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| 119 | tinv(:,:) = 1. / temp(:,:) |
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| 120 | |
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| 121 | relhumloc = relhum |
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| 122 | WHERE( relhumloc < 0.e0 ) |
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| 123 | relhumloc = 0.e0 |
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| 124 | END WHERE |
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| 125 | WHERE( relhumloc > 0.98) |
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| 126 | relhumloc = 0.98 |
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| 127 | END WHERE |
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| 128 | relhum1(:,:) = 1. - relhumloc(:,:) |
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| 129 | |
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| 130 | !Equilibrium constant based on Mozurkewich, 1993 |
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| 131 | drh(:,:) = EXP(723.7*tinv(:,:)+1.6954) * 1.e-2 |
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| 132 | kps(:,:) = EXP(118.87-24084.*tinv(:,:)-6.025*LOG(temp(:,:))) |
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| 133 | kpl1(:,:) = EXP(-135.94+8763.*tinv(:,:)+19.12*LOG(temp(:,:))) |
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| 134 | kpl2(:,:) = EXP(-122.65+9969.*tinv(:,:)+16.22*LOG(temp(:,:))) |
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| 135 | kpl3(:,:) = EXP(-182.61+13875.*tinv(:,:)+24.46*LOG(temp(:,:))) |
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| 136 | |
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| 137 | DO i = 1, PLON |
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| 138 | DO j = 1, PLEV |
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| 139 | |
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| 140 | kpl(i,j) = kps(i,j) |
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| 141 | |
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| 142 | IF ( relhumloc(i,j) >= drh(i,j) ) THEN |
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| 143 | kpl(i,j) = (kpl1(i,j)-kpl2(i,j)*relhum1(i,j)+kpl3(i,j)*relhum1(i,j)**2.)& |
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| 144 | * relhum1(i,j)**1.75*kpl(i,j) |
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| 145 | ENDIF |
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| 146 | |
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| 147 | ENDDO |
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| 148 | ENDDO |
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| 149 | |
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| 150 | !Initial mixing ratio for diagnostics purpose |
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| 151 | vmr0_no3m(:,:) = vmr(:,:,id_ASNO3M) |
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| 152 | vmr0_nh4p(:,:) = vmr(:,:,id_ASNH4M) |
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| 153 | vmr0_hno3(:,:) = vmr(:,:,id_HNO3) |
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| 154 | vmr0_nh3(:,:) = vmr(:,:,id_NH3) |
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| 155 | |
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| 156 | !Volume mixing ratios |
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| 157 | hno3(:,:) = vmr(:,:,id_HNO3)*1.e9 |
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| 158 | |
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| 159 | no3m(:,:) = vmr(:,:,id_ASNO3M)*1.e9 |
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| 160 | nh4p(:,:) = vmr(:,:,id_ASNH4M)*1.e9 |
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| 161 | so42m(:,:) = vmr(:,:,id_ASSO4M)*1.e9 |
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| 162 | nh3(:,:) = vmr(:,:,id_NH3)*1.e9 |
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| 163 | |
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| 164 | !Total in moles |
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| 165 | tn(:,:) = hno3(:,:) + no3m(:,:) |
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| 166 | ta(:,:) = nh3(:,:) + nh4p(:,:) |
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| 167 | ts(:,:) = so42m(:,:) |
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| 168 | |
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| 169 | tam(:,:) = mmr(:,:,id_ASNH4M)*1.e9 + mmr(:,:,id_NH3)*1.e9 |
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| 170 | tsm(:,:) = mmr(:,:,id_ASSO4M)*1.e9 |
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| 171 | |
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| 172 | DO i = 1, PLON |
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| 173 | DO j = 1, PLEV |
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| 174 | |
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| 175 | !Sulfate state. Metzger et al. 2002 |
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| 176 | |
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| 177 | zso4 = 2.0 |
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| 178 | IF (tsm(i,j)> 0.5*tam(i,j)) zso4 = 1.5 |
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| 179 | IF (tsm(i,j)> tam(i,j)) zso4 = 1.0 |
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| 180 | so4state(i,j) = zso4 |
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| 181 | |
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| 182 | tadisp(i,j) = MAX((ta(i,j)-zso4*so42m(i,j)),0.) |
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| 183 | tnta(i,j) = tn(i,j)*tadisp(i,j) |
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| 184 | nh4pini(i,j) = MIN(ta(i,j),zso4*so42m(i,j)) |
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| 185 | |
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| 186 | !Step 1: Equilibrium concentrations |
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| 187 | IF ( tnta(i,j) > kpl(i,j) ) THEN |
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| 188 | |
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| 189 | wrk1 = (tadisp(i,j)+tn(i,j))**2. - 4.*(tnta(i,j)-kpl(i,j)) |
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| 190 | wrk1 = MAX(wrk1,0.) |
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| 191 | wrk2 = 0.5*(tadisp(i,j)+tn(i,j)-SQRT(wrk1)) |
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| 192 | wrk2 = MAX(wrk2,0.) |
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| 193 | wrk2 = MIN(wrk2,tn(i,j)) |
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| 194 | wrk2 = MIN(wrk2,tadisp(i,j)) |
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| 195 | |
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| 196 | hno3eq = MAX(tn(i,j)-wrk2,0.) |
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| 197 | nh3eq = MAX(tadisp(i,j)-wrk2,0.) |
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| 198 | |
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| 199 | !Step 2a: Time dependence -time constants (tau and delt in sec) |
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| 200 | !This needs to be calculated explicitely based on Wexler and Seinfeld (1990) and Ackermann et al(1995) |
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| 201 | !for now use the value provided by Ackermann et al. for alpha=0.5 and Radius=0.1um. This should be calculated explicitely but little effect. |
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| 202 | |
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| 203 | tautot = 2.05*60. |
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| 204 | tfac = 1.-EXP(-delt/tautot) |
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| 205 | |
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| 206 | !Step 2b: Time dependence -gas phase concentrations |
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| 207 | |
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| 208 | hno3(i,j) = MAX((hno3(i,j) - tfac * (hno3(i,j)-hno3eq)),0.) |
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| 209 | nh3(i,j) = MAX((nh3(i,j) - tfac * (nh3(i,j)-nh3eq)), 0.) |
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| 210 | |
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| 211 | !Step 3: Update aerosol phase |
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| 212 | |
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| 213 | no3m(i,j) = MAX((tn(i,j)-hno3(i,j)),0.) |
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| 214 | nh4p(i,j) = MAX((tadisp(i,j)-nh3(i,j)),0.) |
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| 215 | |
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| 216 | vmr(i,j,id_HNO3) = hno3(i,j) * 1.e-9 |
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| 217 | vmr(i,j,id_NH3) = nh3(i,j) * 1.e-9 |
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| 218 | vmr(i,j,id_ASNO3M) = no3m(i,j) * 1.e-9 |
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| 219 | vmr(i,j,id_ASNH4M) = nh4p(i,j) * 1.e-9 |
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| 220 | |
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| 221 | ELSE |
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| 222 | |
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| 223 | vmr(i,j,id_HNO3) = tn(i,j) * 1.e-9 |
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| 224 | vmr(i,j,id_NH3) = tadisp(i,j) * 1.e-9 |
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| 225 | vmr(i,j,id_ASNH4M) = 1.e-19 |
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| 226 | vmr(i,j,id_ASNO3M) = 1.e-19 |
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| 227 | |
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| 228 | ENDIF |
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| 229 | |
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| 230 | !Add back the ammonium sulfate |
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| 231 | |
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| 232 | vmr(i,j,id_ASNH4M) = vmr(i,j,id_ASNH4M) + nh4pini(i,j) * 1.e-9 |
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| 233 | |
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| 234 | END DO |
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| 235 | END DO |
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| 236 | |
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| 237 | !Store changes for diagnostics (molec/cm3/s) |
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| 238 | asno3m_p_nh3hno3(:,:) = (vmr(:,:,id_ASNO3M)-vmr0_no3m(:,:)) * hnm(:,:)/delt |
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| 239 | asnh4m_p_nh3hno3(:,:) = (vmr(:,:,id_ASNH4M)-vmr0_nh4p(:,:)) * hnm(:,:)/delt |
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| 240 | #ifdef NMHC |
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| 241 | hno3_p_nh3hno3(:,:) = (vmr(:,:,id_HNO3)-vmr0_hno3(:,:)) * hnm(:,:)/delt |
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| 242 | #endif |
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| 243 | nh3_p_nh3hno3(:,:) = (vmr(:,:,id_NH3)-vmr0_nh3(:,:)) * hnm(:,:)/delt |
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| 244 | |
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| 245 | END SUBROUTINE AERTHERM |
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| 246 | #endif |
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| 247 | #endif |
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