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