Line data Source code
1 : module mo_usrrxt
2 :
3 : use shr_kind_mod, only : r8 => shr_kind_r8
4 : use cam_logfile, only : iulog
5 : use ppgrid, only : pver, pcols
6 :
7 : implicit none
8 :
9 : private
10 : public :: usrrxt, usrrxt_inti, usrrxt_hrates
11 :
12 : save
13 :
14 : integer :: usr_O_O2_ndx
15 : integer :: usr_HO2_HO2_ndx
16 : integer :: usr_N2O5_M_ndx
17 : integer :: usr_HNO3_OH_ndx
18 : integer :: usr_HO2NO2_M_ndx
19 : integer :: usr_N2O5_aer_ndx
20 : integer :: usr_NO3_aer_ndx
21 : integer :: usr_NO2_aer_ndx
22 : integer :: usr_CO_OH_ndx
23 : integer :: usr_CO_OH_a_ndx
24 : integer :: usr_CO_OH_b_ndx
25 : integer :: usr_PAN_M_ndx
26 : integer :: usr_CH3COCH3_OH_ndx
27 : integer :: usr_MCO3_NO2_ndx
28 : integer :: usr_MPAN_M_ndx
29 : integer :: usr_XOOH_OH_ndx
30 : integer :: usr_SO2_OH_ndx
31 : integer :: usr_DMS_OH_ndx
32 : integer :: usr_HO2_aer_ndx
33 : integer :: usr_GLYOXAL_aer_ndx
34 :
35 : integer :: tag_NO2_NO3_ndx
36 : integer :: tag_NO2_OH_ndx
37 : integer :: tag_NO2_HO2_ndx
38 : integer :: tag_C2H4_OH_ndx
39 : integer :: tag_C3H6_OH_ndx
40 : integer :: tag_CH3CO3_NO2_ndx
41 :
42 : !lke-TS1
43 : integer :: usr_PBZNIT_M_ndx
44 : integer :: tag_ACBZO2_NO2_ndx
45 : integer :: usr_ISOPNITA_aer_ndx
46 : integer :: usr_ISOPNITB_aer_ndx
47 : integer :: usr_ONITR_aer_ndx
48 : integer :: usr_HONITR_aer_ndx
49 : integer :: usr_TERPNIT_aer_ndx
50 : integer :: usr_NTERPOOH_aer_ndx
51 : integer :: usr_NC4CHO_aer_ndx
52 : integer :: usr_NC4CH2OH_aer_ndx
53 : !TS2
54 : integer :: usr_ISOPZD1O2_ndx
55 : integer :: usr_ISOPZD4O2_ndx
56 : integer :: usr_ISOPFDN_aer_ndx
57 : integer :: usr_ISOPFNP_aer_ndx
58 : integer :: usr_ISOPN2B_aer_ndx
59 : integer :: usr_ISOPN1D_aer_ndx
60 : integer :: usr_ISOPN4D_aer_ndx
61 : integer :: usr_INOOHD_aer_ndx
62 : integer :: usr_INHEB_aer_ndx
63 : integer :: usr_INHED_aer_ndx
64 : integer :: usr_MACRN_aer_ndx
65 : integer :: usr_ISOPHFP_aer_ndx
66 : integer :: usr_IEPOX_aer_ndx
67 : integer :: usr_DHPMPAL_aer_ndx
68 : integer :: usr_ICHE_aer_ndx
69 : integer :: usr_ISOPFNC_aer_ndx
70 : integer :: usr_ISOPFDNC_aer_ndx
71 : integer :: usr_ISOPB1O2_NOn_ndx
72 : integer :: usr_ISOPB1O2_NOa_ndx
73 : integer :: usr_ISOPB4O2_NOn_ndx
74 : integer :: usr_ISOPB4O2_NOa_ndx
75 : integer :: usr_ISOPED1O2_NOn_ndx
76 : integer :: usr_ISOPED1O2_NOa_ndx
77 : integer :: usr_ISOPED4O2_NOn_ndx
78 : integer :: usr_ISOPED4O2_NOa_ndx
79 : integer :: usr_ISOPZD1O2_NOn_ndx
80 : integer :: usr_ISOPZD1O2_NOa_ndx
81 : integer :: usr_ISOPZD4O2_NOn_ndx
82 : integer :: usr_ISOPZD4O2_NOa_ndx
83 : integer :: usr_ISOPNO3_NOn_ndx
84 : integer :: usr_ISOPNO3_NOa_ndx
85 : integer :: usr_MVKO2_NOn_ndx
86 : integer :: usr_MVKO2_NOa_ndx
87 : integer :: usr_MACRO2_NOn_ndx
88 : integer :: usr_MACRO2_NOa_ndx
89 : integer :: usr_IEPOXOO_NOn_ndx
90 : integer :: usr_IEPOXOO_NOa_ndx
91 : integer :: usr_ISOPN1DO2_NOn_ndx
92 : integer :: usr_ISOPN1DO2_NOa_ndx
93 : integer :: usr_ISOPN2BO2_NOn_ndx
94 : integer :: usr_ISOPN2BO2_NOa_ndx
95 : integer :: usr_ISOPN3BO2_NOn_ndx
96 : integer :: usr_ISOPN3BO2_NOa_ndx
97 : integer :: usr_ISOPN4DO2_NOn_ndx
98 : integer :: usr_ISOPN4DO2_NOa_ndx
99 : integer :: usr_ISOPNBNO3O2_NOn_ndx
100 : integer :: usr_ISOPNBNO3O2_NOa_ndx
101 : integer :: usr_ISOPNOOHBO2_NOn_ndx
102 : integer :: usr_ISOPNOOHBO2_NOa_ndx
103 : integer :: usr_ISOPNOOHDO2_NOn_ndx
104 : integer :: usr_ISOPNOOHDO2_NOa_ndx
105 : integer :: usr_NC4CHOO2_NOn_ndx
106 : integer :: usr_NC4CHOO2_NOa_ndx
107 : integer :: tag_MCO3_NO2_ndx
108 : integer :: tag_TERPACO3_NO2_ndx
109 : integer :: usr_TERPAPAN_M_ndx
110 : integer :: tag_TERPA2CO3_NO2_ndx
111 : integer :: usr_TERPA2PAN_M_ndx
112 : integer :: tag_TERPA3CO3_NO2_ndx
113 : integer :: usr_TERPA3PAN_M_ndx
114 : integer :: usr_TERPNT_aer_ndx
115 : integer :: usr_TERPNT1_aer_ndx
116 : integer :: usr_TERPNPT_aer_ndx
117 : integer :: usr_TERPNPT1_aer_ndx
118 : integer :: usr_TERPFDN_aer_ndx
119 : integer :: usr_SQTN_aer_ndx
120 : integer :: usr_TERPHFN_aer_ndx
121 : integer :: usr_TERPDHDP_aer_ndx
122 : integer :: usr_TERPACID_aer_ndx
123 : !
124 : integer :: usr_OA_O2_NDX
125 : integer :: usr_XNO2NO3_M_ndx
126 : integer :: usr_NO2XNO3_M_ndx
127 : integer :: usr_XHNO3_OH_ndx
128 : integer :: usr_XHO2NO2_M_ndx
129 : integer :: usr_XNO2NO3_aer_ndx
130 : integer :: usr_NO2XNO3_aer_ndx
131 : integer :: usr_XNO3_aer_ndx
132 : integer :: usr_XNO2_aer_ndx
133 : integer :: usr_XPAN_M_ndx
134 : integer :: usr_XMPAN_M_ndx
135 : integer :: usr_MCO3_XNO2_ndx
136 :
137 : integer :: usr_C2O3_NO2_ndx
138 : integer :: usr_C2H4_OH_ndx
139 : integer :: usr_XO2N_HO2_ndx
140 : integer :: usr_C2O3_XNO2_ndx
141 :
142 : integer :: tag_XO2N_NO_ndx
143 : integer :: tag_XO2_HO2_ndx
144 : integer :: tag_XO2_NO_ndx
145 :
146 : integer :: usr_O_O_ndx
147 : integer :: usr_CL2O2_M_ndx
148 : integer :: usr_SO3_H2O_ndx
149 : integer :: tag_CLO_CLO_M_ndx
150 :
151 : integer :: ion1_ndx, ion2_ndx, ion3_ndx, ion11_ndx
152 : integer :: elec1_ndx, elec2_ndx, elec3_ndx
153 : integer :: elec4_ndx, elec5_ndx, elec6_ndx
154 : integer :: het1_ndx
155 :
156 : integer, parameter :: nean = 3
157 : integer :: ean_ndx(nean)
158 : integer, parameter :: nrpe = 5
159 : integer :: rpe_ndx(nrpe)
160 : integer, parameter :: npir = 16
161 : integer :: pir_ndx(npir)
162 : integer, parameter :: nedn = 2
163 : integer :: edn_ndx(nedn)
164 : integer, parameter :: nnir = 13
165 : integer :: nir_ndx(nnir)
166 : integer, parameter :: niira = 112
167 : integer :: iira_ndx(niira)
168 : integer, parameter :: niirb = 14
169 : integer :: iirb_ndx(niirb)
170 :
171 : integer :: usr_clm_h2o_m_ndx, usr_clm_hcl_m_ndx
172 : integer :: usr_oh_co_ndx, het_no2_h2o_ndx, usr_oh_dms_ndx, aq_so2_h2o2_ndx, aq_so2_o3_ndx
173 :
174 : integer :: h2o_ndx
175 : !
176 : ! jfl
177 : !
178 : integer, parameter :: num_strat_tau = 22
179 : integer :: usr_strat_tau_ndx(num_strat_tau)
180 : !
181 : !lke++
182 : integer :: usr_COhc_OH_ndx
183 : integer :: usr_COme_OH_ndx
184 : integer :: usr_CO01_OH_ndx
185 : integer :: usr_CO02_OH_ndx
186 : integer :: usr_CO03_OH_ndx
187 : integer :: usr_CO04_OH_ndx
188 : integer :: usr_CO05_OH_ndx
189 : integer :: usr_CO06_OH_ndx
190 : integer :: usr_CO07_OH_ndx
191 : integer :: usr_CO08_OH_ndx
192 : integer :: usr_CO09_OH_ndx
193 : integer :: usr_CO10_OH_ndx
194 : integer :: usr_CO11_OH_ndx
195 : integer :: usr_CO12_OH_ndx
196 : integer :: usr_CO13_OH_ndx
197 : integer :: usr_CO14_OH_ndx
198 : integer :: usr_CO15_OH_ndx
199 : integer :: usr_CO16_OH_ndx
200 : integer :: usr_CO17_OH_ndx
201 : integer :: usr_CO18_OH_ndx
202 : integer :: usr_CO19_OH_ndx
203 : integer :: usr_CO20_OH_ndx
204 : integer :: usr_CO21_OH_ndx
205 : integer :: usr_CO22_OH_ndx
206 : integer :: usr_CO23_OH_ndx
207 : integer :: usr_CO24_OH_ndx
208 : integer :: usr_CO25_OH_ndx
209 : integer :: usr_CO26_OH_ndx
210 : integer :: usr_CO27_OH_ndx
211 : integer :: usr_CO28_OH_ndx
212 : integer :: usr_CO29_OH_ndx
213 : integer :: usr_CO30_OH_ndx
214 : integer :: usr_CO31_OH_ndx
215 : integer :: usr_CO32_OH_ndx
216 : integer :: usr_CO33_OH_ndx
217 : integer :: usr_CO34_OH_ndx
218 : integer :: usr_CO35_OH_ndx
219 : integer :: usr_CO36_OH_ndx
220 : integer :: usr_CO37_OH_ndx
221 : integer :: usr_CO38_OH_ndx
222 : integer :: usr_CO39_OH_ndx
223 : integer :: usr_CO40_OH_ndx
224 : integer :: usr_CO41_OH_ndx
225 : integer :: usr_CO42_OH_ndx
226 : !lke--
227 :
228 : real(r8), parameter :: t0 = 300._r8 ! K
229 : real(r8), parameter :: trlim2 = 17._r8/3._r8 ! K
230 : real(r8), parameter :: trlim3 = 15._r8/3._r8 ! K
231 :
232 : logical :: has_ion_rxts, has_d_chem
233 :
234 : contains
235 :
236 0 : subroutine usrrxt_inti
237 : !-----------------------------------------------------------------
238 : ! ... intialize the user reaction constants module
239 : !-----------------------------------------------------------------
240 :
241 : use mo_chem_utls, only : get_rxt_ndx, get_spc_ndx
242 : use spmd_utils, only : masterproc
243 :
244 : implicit none
245 :
246 : character(len=4) :: xchar
247 : character(len=32) :: rxtname
248 : integer :: i
249 :
250 : !
251 : ! full tropospheric chemistry
252 : !
253 0 : usr_O_O2_ndx = get_rxt_ndx( 'usr_O_O2' )
254 0 : usr_HO2_HO2_ndx = get_rxt_ndx( 'usr_HO2_HO2' )
255 0 : usr_N2O5_M_ndx = get_rxt_ndx( 'usr_N2O5_M' )
256 0 : usr_HNO3_OH_ndx = get_rxt_ndx( 'usr_HNO3_OH' )
257 0 : usr_HO2NO2_M_ndx = get_rxt_ndx( 'usr_HO2NO2_M' )
258 0 : usr_N2O5_aer_ndx = get_rxt_ndx( 'usr_N2O5_aer' )
259 0 : usr_NO3_aer_ndx = get_rxt_ndx( 'usr_NO3_aer' )
260 0 : usr_NO2_aer_ndx = get_rxt_ndx( 'usr_NO2_aer' )
261 0 : usr_CO_OH_ndx = get_rxt_ndx( 'usr_CO_OH' )
262 0 : usr_CO_OH_a_ndx = get_rxt_ndx( 'usr_CO_OH_a' )
263 0 : usr_CO_OH_b_ndx = get_rxt_ndx( 'usr_CO_OH_b' )
264 0 : usr_PAN_M_ndx = get_rxt_ndx( 'usr_PAN_M' )
265 0 : usr_CH3COCH3_OH_ndx = get_rxt_ndx( 'usr_CH3COCH3_OH' )
266 0 : usr_MCO3_NO2_ndx = get_rxt_ndx( 'usr_MCO3_NO2' )
267 0 : tag_MCO3_NO2_ndx = get_rxt_ndx( 'tag_MCO3_NO2' )
268 0 : if( tag_MCO3_NO2_ndx<0 .and. usr_MCO3_NO2_ndx>0 ) then
269 0 : tag_MCO3_NO2_ndx = usr_MCO3_NO2_ndx
270 : endif
271 :
272 0 : usr_MPAN_M_ndx = get_rxt_ndx( 'usr_MPAN_M' )
273 0 : usr_XOOH_OH_ndx = get_rxt_ndx( 'usr_XOOH_OH' )
274 0 : usr_SO2_OH_ndx = get_rxt_ndx( 'usr_SO2_OH' )
275 0 : usr_DMS_OH_ndx = get_rxt_ndx( 'usr_DMS_OH' )
276 0 : usr_HO2_aer_ndx = get_rxt_ndx( 'usr_HO2_aer' )
277 0 : usr_GLYOXAL_aer_ndx = get_rxt_ndx( 'usr_GLYOXAL_aer' )
278 : !
279 0 : tag_NO2_NO3_ndx = get_rxt_ndx( 'tag_NO2_NO3' )
280 0 : tag_NO2_OH_ndx = get_rxt_ndx( 'tag_NO2_OH' )
281 0 : tag_NO2_HO2_ndx = get_rxt_ndx( 'tag_NO2_HO2' )
282 0 : tag_C2H4_OH_ndx = get_rxt_ndx( 'tag_C2H4_OH' )
283 0 : tag_C3H6_OH_ndx = get_rxt_ndx( 'tag_C3H6_OH' )
284 0 : tag_CH3CO3_NO2_ndx = get_rxt_ndx( 'tag_CH3CO3_NO2' )
285 : !lke-TS1
286 0 : usr_PBZNIT_M_ndx = get_rxt_ndx( 'usr_PBZNIT_M' )
287 0 : tag_ACBZO2_NO2_ndx = get_rxt_ndx( 'tag_ACBZO2_NO2' )
288 0 : usr_ISOPNITA_aer_ndx = get_rxt_ndx( 'usr_ISOPNITA_aer' )
289 0 : usr_ISOPNITB_aer_ndx = get_rxt_ndx( 'usr_ISOPNITB_aer' )
290 0 : usr_ONITR_aer_ndx = get_rxt_ndx( 'usr_ONITR_aer' )
291 0 : usr_HONITR_aer_ndx = get_rxt_ndx( 'usr_HONITR_aer' )
292 0 : usr_TERPNIT_aer_ndx = get_rxt_ndx( 'usr_TERPNIT_aer' )
293 0 : usr_NTERPOOH_aer_ndx = get_rxt_ndx( 'usr_NTERPOOH_aer' )
294 0 : usr_NC4CHO_aer_ndx = get_rxt_ndx( 'usr_NC4CHO_aer' )
295 0 : usr_NC4CH2OH_aer_ndx = get_rxt_ndx( 'usr_NC4CH2OH_aer' )
296 : !TS2
297 0 : usr_ISOPZD1O2_ndx = get_rxt_ndx( 'usr_ISOPZD1O2' )
298 0 : usr_ISOPZD4O2_ndx = get_rxt_ndx( 'usr_ISOPZD4O2' )
299 0 : usr_ISOPFDN_aer_ndx = get_rxt_ndx( 'usr_ISOPFDN_aer' )
300 0 : usr_ISOPFNP_aer_ndx = get_rxt_ndx( 'usr_ISOPFNP_aer' )
301 0 : usr_ISOPN2B_aer_ndx = get_rxt_ndx( 'usr_ISOPN2B_aer' )
302 0 : usr_ISOPN1D_aer_ndx = get_rxt_ndx( 'usr_ISOPN1D_aer' )
303 0 : usr_ISOPN4D_aer_ndx = get_rxt_ndx( 'usr_ISOPN4D_aer' )
304 0 : usr_INOOHD_aer_ndx = get_rxt_ndx( 'usr_INOOHD_aer' )
305 0 : usr_INHEB_aer_ndx = get_rxt_ndx( 'usr_INHEB_aer' )
306 0 : usr_INHED_aer_ndx = get_rxt_ndx( 'usr_INHED_aer' )
307 0 : usr_MACRN_aer_ndx = get_rxt_ndx( 'usr_MACRN_aer' )
308 0 : usr_ISOPHFP_aer_ndx = get_rxt_ndx( 'usr_ISOPHFP_aer' )
309 0 : usr_IEPOX_aer_ndx = get_rxt_ndx( 'usr_IEPOX_aer' )
310 0 : usr_DHPMPAL_aer_ndx = get_rxt_ndx( 'usr_DHPMPAL_aer' )
311 0 : usr_ICHE_aer_ndx = get_rxt_ndx( 'usr_ICHE_aer' )
312 0 : usr_ISOPFNC_aer_ndx = get_rxt_ndx( 'usr_ISOPFNC_aer' )
313 0 : usr_ISOPFDNC_aer_ndx = get_rxt_ndx( 'usr_ISOPFDNC_aer' )
314 0 : usr_ISOPB1O2_NOn_ndx = get_rxt_ndx( 'usr_ISOPB1O2_NOn' )
315 0 : usr_ISOPB1O2_NOa_ndx = get_rxt_ndx( 'usr_ISOPB1O2_NOa' )
316 0 : usr_ISOPB4O2_NOn_ndx = get_rxt_ndx( 'usr_ISOPB4O2_NOn' )
317 0 : usr_ISOPB4O2_NOa_ndx = get_rxt_ndx( 'usr_ISOPB4O2_NOa' )
318 0 : usr_ISOPED1O2_NOn_ndx = get_rxt_ndx( 'usr_ISOPED1O2_NOn' )
319 0 : usr_ISOPED1O2_NOa_ndx = get_rxt_ndx( 'usr_ISOPED1O2_NOa' )
320 0 : usr_ISOPED4O2_NOn_ndx = get_rxt_ndx( 'usr_ISOPED4O2_NOn' )
321 0 : usr_ISOPED4O2_NOa_ndx = get_rxt_ndx( 'usr_ISOPED4O2_NOa' )
322 0 : usr_ISOPZD1O2_NOn_ndx = get_rxt_ndx( 'usr_ISOPZD1O2_NOn' )
323 0 : usr_ISOPZD1O2_NOa_ndx = get_rxt_ndx( 'usr_ISOPZD1O2_NOa' )
324 0 : usr_ISOPZD4O2_NOn_ndx = get_rxt_ndx( 'usr_ISOPZD4O2_NOn' )
325 0 : usr_ISOPZD4O2_NOa_ndx = get_rxt_ndx( 'usr_ISOPZD4O2_NOa' )
326 0 : usr_ISOPNO3_NOn_ndx = get_rxt_ndx( 'usr_ISOPNO3_NOn' )
327 0 : usr_ISOPNO3_NOa_ndx = get_rxt_ndx( 'usr_ISOPNO3_NOa' )
328 0 : usr_MVKO2_NOn_ndx = get_rxt_ndx( 'usr_MVKO2_NOn' )
329 0 : usr_MVKO2_NOa_ndx = get_rxt_ndx( 'usr_MVKO2_NOa' )
330 0 : usr_MACRO2_NOn_ndx = get_rxt_ndx( 'usr_MACRO2_NOn' )
331 0 : usr_MACRO2_NOa_ndx = get_rxt_ndx( 'usr_MACRO2_NOa' )
332 0 : usr_IEPOXOO_NOn_ndx = get_rxt_ndx( 'usr_IEPOXOO_NOn' )
333 0 : usr_IEPOXOO_NOa_ndx = get_rxt_ndx( 'usr_IEPOXOO_NOa' )
334 0 : usr_ISOPN1DO2_NOn_ndx = get_rxt_ndx( 'usr_ISOPN1DO2_NOn' )
335 0 : usr_ISOPN1DO2_NOa_ndx = get_rxt_ndx( 'usr_ISOPN1DO2_NOa' )
336 0 : usr_ISOPN2BO2_NOn_ndx = get_rxt_ndx( 'usr_ISOPN2BO2_NOn' )
337 0 : usr_ISOPN2BO2_NOa_ndx = get_rxt_ndx( 'usr_ISOPN2BO2_NOa' )
338 0 : usr_ISOPN3BO2_NOn_ndx = get_rxt_ndx( 'usr_ISOPN3BO2_NOn' )
339 0 : usr_ISOPN3BO2_NOa_ndx = get_rxt_ndx( 'usr_ISOPN3BO2_NOa' )
340 0 : usr_ISOPN4DO2_NOn_ndx = get_rxt_ndx( 'usr_ISOPN4DO2_NOn' )
341 0 : usr_ISOPN4DO2_NOa_ndx = get_rxt_ndx( 'usr_ISOPN4DO2_NOa' )
342 0 : usr_ISOPNBNO3O2_NOn_ndx = get_rxt_ndx( 'usr_ISOPNBNO3O2_NOn' )
343 0 : usr_ISOPNBNO3O2_NOa_ndx = get_rxt_ndx( 'usr_ISOPNBNO3O2_NOa' )
344 0 : usr_ISOPNOOHBO2_NOn_ndx = get_rxt_ndx( 'usr_ISOPNOOHBO2_NOn' )
345 0 : usr_ISOPNOOHBO2_NOa_ndx = get_rxt_ndx( 'usr_ISOPNOOHBO2_NOa' )
346 0 : usr_ISOPNOOHDO2_NOn_ndx = get_rxt_ndx( 'usr_ISOPNOOHDO2_NOn' )
347 0 : usr_ISOPNOOHDO2_NOa_ndx = get_rxt_ndx( 'usr_ISOPNOOHDO2_NOa' )
348 0 : usr_NC4CHOO2_NOn_ndx = get_rxt_ndx( 'usr_NC4CHOO2_NOn' )
349 0 : usr_NC4CHOO2_NOa_ndx = get_rxt_ndx( 'usr_NC4CHOO2_NOa' )
350 0 : tag_TERPACO3_NO2_ndx = get_rxt_ndx( 'tag_TERPACO3_NO2' )
351 0 : usr_TERPAPAN_M_ndx = get_rxt_ndx( 'usr_TERPAPAN_M' )
352 0 : tag_TERPA2CO3_NO2_ndx = get_rxt_ndx( 'tag_TERPA2CO3_NO2' )
353 0 : usr_TERPA2PAN_M_ndx = get_rxt_ndx( 'usr_TERPA2PAN_M' )
354 0 : tag_TERPA3CO3_NO2_ndx = get_rxt_ndx( 'tag_TERPA3CO3_NO2' )
355 0 : usr_TERPA3PAN_M_ndx = get_rxt_ndx( 'usr_TERPA3PAN_M' )
356 0 : usr_TERPNT_aer_ndx = get_rxt_ndx( 'usr_TERPNT_aer' )
357 0 : usr_TERPNT1_aer_ndx = get_rxt_ndx( 'usr_TERPNT1_aer' )
358 0 : usr_TERPNPT_aer_ndx = get_rxt_ndx( 'usr_TERPNPT_aer' )
359 0 : usr_TERPNPT1_aer_ndx = get_rxt_ndx( 'usr_TERPNPT1_aer' )
360 0 : usr_TERPFDN_aer_ndx = get_rxt_ndx( 'usr_TERPFDN_aer' )
361 0 : usr_SQTN_aer_ndx = get_rxt_ndx( 'usr_SQTN_aer' )
362 0 : usr_TERPHFN_aer_ndx = get_rxt_ndx( 'usr_TERPHFN_aer' )
363 0 : usr_TERPDHDP_aer_ndx = get_rxt_ndx( 'usr_TERPDHDP_aer' )
364 0 : usr_TERPACID_aer_ndx = get_rxt_ndx( 'usr_TERPACID_aer' )
365 : !
366 : ! additional reactions for O3A/XNO
367 : !
368 0 : usr_OA_O2_ndx = get_rxt_ndx( 'usr_OA_O2' )
369 0 : usr_XNO2NO3_M_ndx = get_rxt_ndx( 'usr_XNO2NO3_M' )
370 0 : usr_NO2XNO3_M_ndx = get_rxt_ndx( 'usr_NO2XNO3_M' )
371 0 : usr_XNO2NO3_aer_ndx = get_rxt_ndx( 'usr_XNO2NO3_aer' )
372 0 : usr_NO2XNO3_aer_ndx = get_rxt_ndx( 'usr_NO2XNO3_aer' )
373 0 : usr_XHNO3_OH_ndx = get_rxt_ndx( 'usr_XHNO3_OH' )
374 0 : usr_XNO3_aer_ndx = get_rxt_ndx( 'usr_XNO3_aer' )
375 0 : usr_XNO2_aer_ndx = get_rxt_ndx( 'usr_XNO2_aer' )
376 0 : usr_MCO3_XNO2_ndx = get_rxt_ndx( 'usr_MCO3_XNO2' )
377 0 : usr_XPAN_M_ndx = get_rxt_ndx( 'usr_XPAN_M' )
378 0 : usr_XMPAN_M_ndx = get_rxt_ndx( 'usr_XMPAN_M' )
379 0 : usr_XHO2NO2_M_ndx = get_rxt_ndx( 'usr_XHO2NO2_M' )
380 : !
381 : ! reduced hydrocarbon chemistry
382 : !
383 0 : usr_C2O3_NO2_ndx = get_rxt_ndx( 'usr_C2O3_NO2' )
384 0 : usr_C2H4_OH_ndx = get_rxt_ndx( 'usr_C2H4_OH' )
385 0 : usr_XO2N_HO2_ndx = get_rxt_ndx( 'usr_XO2N_HO2' )
386 0 : usr_C2O3_XNO2_ndx = get_rxt_ndx( 'usr_C2O3_XNO2' )
387 : !
388 0 : tag_XO2N_NO_ndx = get_rxt_ndx( 'tag_XO2N_NO' )
389 0 : tag_XO2_HO2_ndx = get_rxt_ndx( 'tag_XO2_HO2' )
390 0 : tag_XO2_NO_ndx = get_rxt_ndx( 'tag_XO2_NO' )
391 : !
392 : ! stratospheric chemistry
393 : !
394 0 : usr_O_O_ndx = get_rxt_ndx( 'usr_O_O' )
395 0 : usr_CL2O2_M_ndx = get_rxt_ndx( 'usr_CL2O2_M' )
396 0 : usr_SO3_H2O_ndx = get_rxt_ndx( 'usr_SO3_H2O' )
397 : !
398 0 : tag_CLO_CLO_M_ndx = get_rxt_ndx( 'tag_CLO_CLO_M' )
399 0 : if (tag_CLO_CLO_M_ndx<0) then ! for backwards compatibility
400 0 : tag_CLO_CLO_M_ndx = get_rxt_ndx( 'tag_CLO_CLO' )
401 : endif
402 : !
403 : ! reactions to remove BAM aerosols in the stratosphere
404 : !
405 0 : usr_strat_tau_ndx( 1) = get_rxt_ndx( 'usr_CB1_strat_tau' )
406 0 : usr_strat_tau_ndx( 2) = get_rxt_ndx( 'usr_CB2_strat_tau' )
407 0 : usr_strat_tau_ndx( 3) = get_rxt_ndx( 'usr_OC1_strat_tau' )
408 0 : usr_strat_tau_ndx( 4) = get_rxt_ndx( 'usr_OC2_strat_tau' )
409 0 : usr_strat_tau_ndx( 5) = get_rxt_ndx( 'usr_SO4_strat_tau' )
410 0 : usr_strat_tau_ndx( 6) = get_rxt_ndx( 'usr_SOA_strat_tau' )
411 0 : usr_strat_tau_ndx( 7) = get_rxt_ndx( 'usr_NH4_strat_tau' )
412 0 : usr_strat_tau_ndx( 8) = get_rxt_ndx( 'usr_NH4NO3_strat_tau' )
413 0 : usr_strat_tau_ndx( 9) = get_rxt_ndx( 'usr_SSLT01_strat_tau' )
414 0 : usr_strat_tau_ndx(10) = get_rxt_ndx( 'usr_SSLT02_strat_tau' )
415 0 : usr_strat_tau_ndx(11) = get_rxt_ndx( 'usr_SSLT03_strat_tau' )
416 0 : usr_strat_tau_ndx(12) = get_rxt_ndx( 'usr_SSLT04_strat_tau' )
417 0 : usr_strat_tau_ndx(13) = get_rxt_ndx( 'usr_DST01_strat_tau' )
418 0 : usr_strat_tau_ndx(14) = get_rxt_ndx( 'usr_DST02_strat_tau' )
419 0 : usr_strat_tau_ndx(15) = get_rxt_ndx( 'usr_DST03_strat_tau' )
420 0 : usr_strat_tau_ndx(16) = get_rxt_ndx( 'usr_DST04_strat_tau' )
421 0 : usr_strat_tau_ndx(17) = get_rxt_ndx( 'usr_SO2t_strat_tau' )
422 0 : usr_strat_tau_ndx(18) = get_rxt_ndx( 'usr_SOAI_strat_tau' )
423 0 : usr_strat_tau_ndx(19) = get_rxt_ndx( 'usr_SOAM_strat_tau' )
424 0 : usr_strat_tau_ndx(20) = get_rxt_ndx( 'usr_SOAB_strat_tau' )
425 0 : usr_strat_tau_ndx(21) = get_rxt_ndx( 'usr_SOAT_strat_tau' )
426 0 : usr_strat_tau_ndx(22) = get_rxt_ndx( 'usr_SOAX_strat_tau' )
427 : !
428 : ! stratospheric aerosol chemistry
429 : !
430 0 : het1_ndx = get_rxt_ndx( 'het1' )
431 : !
432 : ! ion chemistry
433 : !
434 0 : ion1_ndx = get_rxt_ndx( 'ion_Op_O2' )
435 0 : ion2_ndx = get_rxt_ndx( 'ion_Op_N2' )
436 0 : ion3_ndx = get_rxt_ndx( 'ion_N2p_Oa' )
437 0 : ion11_ndx = get_rxt_ndx( 'ion_N2p_Ob' )
438 :
439 0 : elec1_ndx = get_rxt_ndx( 'elec1' )
440 0 : elec2_ndx = get_rxt_ndx( 'elec2' )
441 0 : elec3_ndx = get_rxt_ndx( 'elec3' )
442 :
443 0 : do i = 1,nean
444 0 : write (xchar,'(i4)') i
445 0 : rxtname = 'ean'//trim(adjustl(xchar))
446 0 : ean_ndx(i) = get_rxt_ndx(trim(rxtname))
447 : enddo
448 :
449 0 : do i = 1,nrpe
450 0 : write (xchar,'(i4)') i
451 0 : rxtname = 'rpe'//trim(adjustl(xchar))
452 0 : rpe_ndx(i) = get_rxt_ndx(trim(rxtname))
453 : enddo
454 :
455 0 : do i = 1,npir
456 0 : write (xchar,'(i4)') i
457 0 : rxtname = 'pir'//trim(adjustl(xchar))
458 0 : pir_ndx(i) = get_rxt_ndx(trim(rxtname))
459 : enddo
460 :
461 0 : do i = 1,nedn
462 0 : write (xchar,'(i4)') i
463 0 : rxtname = 'edn'//trim(adjustl(xchar))
464 0 : edn_ndx(i) = get_rxt_ndx(trim(rxtname))
465 : enddo
466 :
467 0 : do i = 1,nnir
468 0 : write (xchar,'(i4)') i
469 0 : rxtname = 'nir'//trim(adjustl(xchar))
470 0 : nir_ndx(i) = get_rxt_ndx(trim(rxtname))
471 : enddo
472 :
473 0 : do i = 1,niira
474 0 : write (xchar,'(i4)') i
475 0 : rxtname = 'iira'//trim(adjustl(xchar))
476 0 : iira_ndx(i) = get_rxt_ndx(trim(rxtname))
477 : enddo
478 :
479 0 : do i = 1,niirb
480 0 : write (xchar,'(i4)') i
481 0 : rxtname = 'iirb'//trim(adjustl(xchar))
482 0 : iirb_ndx(i) = get_rxt_ndx(trim(rxtname))
483 : enddo
484 :
485 0 : usr_clm_h2o_m_ndx = get_rxt_ndx( 'usr_CLm_H2O_M' )
486 0 : usr_clm_hcl_m_ndx = get_rxt_ndx( 'usr_CLm_HCL_M' )
487 :
488 0 : elec4_ndx = get_rxt_ndx( 'Op2P_ea' )
489 0 : elec5_ndx = get_rxt_ndx( 'Op2P_eb' )
490 0 : elec6_ndx = get_rxt_ndx( 'Op2D_e' )
491 :
492 : has_ion_rxts = ion1_ndx>0 .and. ion2_ndx>0 .and. ion3_ndx>0 .and. elec1_ndx>0 &
493 0 : .and. elec2_ndx>0 .and. elec3_ndx>0
494 :
495 : has_d_chem = &
496 : all(ean_ndx>0) .and. &
497 : all(rpe_ndx>0) .and. &
498 : all(pir_ndx>0) .and. &
499 : all(edn_ndx>0) .and. &
500 : all(nir_ndx>0) .and. &
501 : all(iira_ndx>0) .and. &
502 : all(iirb_ndx>0) .and. &
503 0 : usr_clm_h2o_m_ndx>0 .and. usr_clm_hcl_m_ndx>0
504 :
505 0 : h2o_ndx = get_spc_ndx( 'H2O' )
506 :
507 : !
508 : ! llnl super fast
509 : !
510 0 : usr_oh_co_ndx = get_rxt_ndx( 'usr_oh_co' )
511 0 : het_no2_h2o_ndx = get_rxt_ndx( 'het_no2_h2o' )
512 0 : usr_oh_dms_ndx = get_rxt_ndx( 'usr_oh_dms' )
513 0 : aq_so2_h2o2_ndx = get_rxt_ndx( 'aq_so2_h2o2' )
514 0 : aq_so2_o3_ndx = get_rxt_ndx( 'aq_so2_o3' )
515 :
516 : !lke++
517 : ! CO tags
518 : !
519 0 : usr_COhc_OH_ndx = get_rxt_ndx( 'usr_COhc_OH' )
520 0 : usr_COme_OH_ndx = get_rxt_ndx( 'usr_COme_OH' )
521 0 : usr_CO01_OH_ndx = get_rxt_ndx( 'usr_CO01_OH' )
522 0 : usr_CO02_OH_ndx = get_rxt_ndx( 'usr_CO02_OH' )
523 0 : usr_CO03_OH_ndx = get_rxt_ndx( 'usr_CO03_OH' )
524 0 : usr_CO04_OH_ndx = get_rxt_ndx( 'usr_CO04_OH' )
525 0 : usr_CO05_OH_ndx = get_rxt_ndx( 'usr_CO05_OH' )
526 0 : usr_CO06_OH_ndx = get_rxt_ndx( 'usr_CO06_OH' )
527 0 : usr_CO07_OH_ndx = get_rxt_ndx( 'usr_CO07_OH' )
528 0 : usr_CO08_OH_ndx = get_rxt_ndx( 'usr_CO08_OH' )
529 0 : usr_CO09_OH_ndx = get_rxt_ndx( 'usr_CO09_OH' )
530 0 : usr_CO10_OH_ndx = get_rxt_ndx( 'usr_CO10_OH' )
531 0 : usr_CO11_OH_ndx = get_rxt_ndx( 'usr_CO11_OH' )
532 0 : usr_CO12_OH_ndx = get_rxt_ndx( 'usr_CO12_OH' )
533 0 : usr_CO13_OH_ndx = get_rxt_ndx( 'usr_CO13_OH' )
534 0 : usr_CO14_OH_ndx = get_rxt_ndx( 'usr_CO14_OH' )
535 0 : usr_CO15_OH_ndx = get_rxt_ndx( 'usr_CO15_OH' )
536 0 : usr_CO16_OH_ndx = get_rxt_ndx( 'usr_CO16_OH' )
537 0 : usr_CO17_OH_ndx = get_rxt_ndx( 'usr_CO17_OH' )
538 0 : usr_CO18_OH_ndx = get_rxt_ndx( 'usr_CO18_OH' )
539 0 : usr_CO19_OH_ndx = get_rxt_ndx( 'usr_CO19_OH' )
540 0 : usr_CO20_OH_ndx = get_rxt_ndx( 'usr_CO20_OH' )
541 0 : usr_CO21_OH_ndx = get_rxt_ndx( 'usr_CO21_OH' )
542 0 : usr_CO22_OH_ndx = get_rxt_ndx( 'usr_CO22_OH' )
543 0 : usr_CO23_OH_ndx = get_rxt_ndx( 'usr_CO23_OH' )
544 0 : usr_CO24_OH_ndx = get_rxt_ndx( 'usr_CO24_OH' )
545 0 : usr_CO25_OH_ndx = get_rxt_ndx( 'usr_CO25_OH' )
546 0 : usr_CO26_OH_ndx = get_rxt_ndx( 'usr_CO26_OH' )
547 0 : usr_CO27_OH_ndx = get_rxt_ndx( 'usr_CO27_OH' )
548 0 : usr_CO28_OH_ndx = get_rxt_ndx( 'usr_CO28_OH' )
549 0 : usr_CO29_OH_ndx = get_rxt_ndx( 'usr_CO29_OH' )
550 0 : usr_CO30_OH_ndx = get_rxt_ndx( 'usr_CO30_OH' )
551 0 : usr_CO31_OH_ndx = get_rxt_ndx( 'usr_CO31_OH' )
552 0 : usr_CO32_OH_ndx = get_rxt_ndx( 'usr_CO32_OH' )
553 0 : usr_CO33_OH_ndx = get_rxt_ndx( 'usr_CO33_OH' )
554 0 : usr_CO34_OH_ndx = get_rxt_ndx( 'usr_CO34_OH' )
555 0 : usr_CO35_OH_ndx = get_rxt_ndx( 'usr_CO35_OH' )
556 0 : usr_CO36_OH_ndx = get_rxt_ndx( 'usr_CO36_OH' )
557 0 : usr_CO37_OH_ndx = get_rxt_ndx( 'usr_CO37_OH' )
558 0 : usr_CO38_OH_ndx = get_rxt_ndx( 'usr_CO38_OH' )
559 0 : usr_CO39_OH_ndx = get_rxt_ndx( 'usr_CO39_OH' )
560 0 : usr_CO40_OH_ndx = get_rxt_ndx( 'usr_CO40_OH' )
561 0 : usr_CO41_OH_ndx = get_rxt_ndx( 'usr_CO41_OH' )
562 0 : usr_CO42_OH_ndx = get_rxt_ndx( 'usr_CO42_OH' )
563 : !lke--
564 :
565 0 : if (masterproc) then
566 0 : write(iulog,*) ' '
567 0 : write(iulog,*) 'usrrxt_inti: diagnostics '
568 0 : write(iulog,'(10i5)') usr_O_O2_ndx,usr_HO2_HO2_ndx,tag_NO2_NO3_ndx,usr_N2O5_M_ndx,tag_NO2_OH_ndx,usr_HNO3_OH_ndx &
569 0 : ,tag_NO2_HO2_ndx,usr_HO2NO2_M_ndx,usr_N2O5_aer_ndx,usr_NO3_aer_ndx,usr_NO2_aer_ndx &
570 0 : ,usr_CO_OH_b_ndx,tag_C2H4_OH_ndx,tag_C3H6_OH_ndx,tag_CH3CO3_NO2_ndx,usr_PAN_M_ndx,usr_CH3COCH3_OH_ndx &
571 0 : ,usr_MCO3_NO2_ndx,usr_MPAN_M_ndx,usr_XOOH_OH_ndx,usr_SO2_OH_ndx,usr_DMS_OH_ndx,usr_HO2_aer_ndx &
572 0 : ,usr_GLYOXAL_aer_ndx,usr_ISOPNITA_aer_ndx,usr_ISOPNITB_aer_ndx,usr_ONITR_aer_ndx,usr_HONITR_aer_ndx &
573 0 : ,usr_TERPNIT_aer_ndx,usr_NTERPOOH_aer_ndx,usr_NC4CHO_aer_ndx,usr_NC4CH2OH_aer_ndx,usr_ISOPZD1O2_ndx &
574 0 : ,usr_ISOPZD4O2_ndx,usr_ISOPFDN_aer_ndx,usr_ISOPFNP_aer_ndx,usr_ISOPN2B_aer_ndx,usr_ISOPN1D_aer_ndx &
575 0 : ,usr_ISOPN4D_aer_ndx,usr_INOOHD_aer_ndx,usr_INHEB_aer_ndx,usr_INHED_aer_ndx,usr_MACRN_aer_ndx &
576 0 : ,usr_ISOPHFP_aer_ndx,usr_IEPOX_aer_ndx,usr_DHPMPAL_aer_ndx,usr_ISOPB1O2_NOn_ndx,usr_ISOPB1O2_NOa_ndx &
577 0 : ,usr_ISOPB4O2_NOn_ndx,usr_ISOPB4O2_NOa_ndx,usr_ISOPED1O2_NOn_ndx,usr_ISOPED1O2_NOa_ndx &
578 0 : ,usr_ISOPED4O2_NOn_ndx,usr_ISOPED4O2_NOa_ndx,usr_ISOPZD1O2_NOn_ndx,usr_ISOPZD1O2_NOa_ndx &
579 0 : ,usr_ISOPZD4O2_NOn_ndx,usr_ISOPZD4O2_NOa_ndx,usr_ISOPNO3_NOn_ndx,usr_ISOPNO3_NOa_ndx &
580 0 : ,usr_MVKO2_NOn_ndx,usr_MVKO2_NOa_ndx,usr_MACRO2_NOn_ndx,usr_MACRO2_NOa_ndx &
581 0 : ,usr_IEPOXOO_NOn_ndx,usr_IEPOXOO_NOa_ndx,usr_ISOPN1DO2_NOn_ndx,usr_ISOPN1DO2_NOa_ndx &
582 0 : ,usr_ISOPN2BO2_NOn_ndx,usr_ISOPN2BO2_NOa_ndx,usr_ISOPN3BO2_NOn_ndx,usr_ISOPN3BO2_NOa_ndx &
583 0 : ,usr_ISOPN4DO2_NOn_ndx,usr_ISOPN4DO2_NOa_ndx,usr_ISOPNBNO3O2_NOn_ndx,usr_ISOPNBNO3O2_NOa_ndx &
584 0 : ,usr_ISOPNOOHBO2_NOn_ndx,usr_ISOPNOOHBO2_NOa_ndx,usr_ISOPNOOHDO2_NOn_ndx,usr_ISOPNOOHDO2_NOa_ndx &
585 0 : ,usr_NC4CHOO2_NOn_ndx,usr_NC4CHOO2_NOa_ndx,tag_MCO3_NO2_ndx &
586 0 : ,usr_TERPNT_aer_ndx,tag_TERPA2CO3_NO2_ndx,usr_TERPA2PAN_M_ndx &
587 0 : ,usr_TERPNT1_aer_ndx,usr_TERPNPT_aer_ndx,usr_TERPNPT1_aer_ndx,usr_TERPFDN_aer_ndx,usr_SQTN_aer_ndx &
588 0 : ,usr_TERPHFN_aer_ndx,usr_TERPDHDP_aer_ndx,usr_TERPACID_aer_ndx,tag_TERPACO3_NO2_ndx &
589 0 : ,usr_TERPAPAN_M_ndx,tag_TERPA3CO3_NO2_ndx, usr_TERPA3PAN_M_ndx,usr_ICHE_aer_ndx,usr_ISOPFNC_aer_ndx &
590 0 : ,usr_ISOPFDNC_aer_ndx
591 :
592 : end if
593 :
594 0 : end subroutine usrrxt_inti
595 :
596 0 : subroutine usrrxt( rxt, temp, tempi, tempe, invariants, h2ovmr, &
597 0 : pmid, m, sulfate, mmr, relhum, strato_sad, &
598 0 : tropchemlev, dlat, ncol, sad_trop, reff_trop, cwat, mbar, pbuf )
599 :
600 : !-----------------------------------------------------------------
601 : ! ... set the user specified reaction rates
602 : !-----------------------------------------------------------------
603 :
604 : use mo_constants, only : pi, avo => avogadro, boltz_cgs, rgas
605 : use chem_mods, only : nfs, rxntot, gas_pcnst, inv_m_ndx=>indexm
606 : use mo_setinv, only : inv_o2_ndx=>o2_ndx, inv_h2o_ndx=>h2o_ndx
607 : use physics_buffer,only : physics_buffer_desc
608 : use carma_flags_mod, only : carma_hetchem_feedback
609 : use aero_model, only : aero_model_surfarea
610 : use rad_constituents,only : rad_cnst_get_info
611 :
612 : implicit none
613 :
614 : !-----------------------------------------------------------------
615 : ! ... dummy arguments
616 : !-----------------------------------------------------------------
617 : integer, intent(in) :: ncol
618 : integer, intent(in) :: tropchemlev(pcols) ! trop/strat reaction separation vertical index
619 : real(r8), intent(in) :: dlat(:) ! degrees latitude
620 : real(r8), intent(in) :: temp(pcols,pver) ! temperature (K); neutral temperature
621 : real(r8), intent(in) :: tempi(pcols,pver) ! ionic temperature (K); only used if ion chemistry
622 : real(r8), intent(in) :: tempe(pcols,pver) ! electronic temperature (K); only used if ion chemistry
623 : real(r8), intent(in) :: m(ncol,pver) ! total atm density (/cm^3)
624 : real(r8), intent(in) :: sulfate(ncol,pver) ! sulfate aerosol (mol/mol)
625 : real(r8), intent(in) :: strato_sad(pcols,pver) ! stratospheric aerosol sad (1/cm)
626 : real(r8), intent(in) :: h2ovmr(ncol,pver) ! water vapor (mol/mol)
627 : real(r8), intent(in) :: relhum(ncol,pver) ! relative humidity
628 : real(r8), intent(in) :: pmid(pcols,pver) ! midpoint pressure (Pa)
629 : real(r8), intent(in) :: invariants(ncol,pver,nfs) ! invariants density (/cm^3)
630 : real(r8), intent(in) :: mmr(pcols,pver,gas_pcnst) ! species concentrations (kg/kg)
631 : real(r8), intent(in) :: cwat(ncol,pver) !PJC Condensed Water (liquid+ice) (kg/kg)
632 : real(r8), intent(in) :: mbar(ncol,pver) !PJC Molar mass of air (g/mol)
633 : real(r8), intent(inout) :: rxt(ncol,pver,rxntot) ! gas phase rates
634 : real(r8), intent(out) :: sad_trop(pcols,pver) ! tropospheric surface area density (cm2/cm3)
635 : real(r8), intent(out) :: reff_trop(pcols,pver) ! tropospheric effective radius (cm)
636 : type(physics_buffer_desc), pointer :: pbuf(:)
637 :
638 : !-----------------------------------------------------------------
639 : ! ... local variables
640 : !-----------------------------------------------------------------
641 :
642 : real(r8), parameter :: dg = 0.1_r8 ! mole diffusion =0.1 cm2/s (Dentener, 1993)
643 :
644 : !-----------------------------------------------------------------
645 : ! ... reaction probabilities for heterogeneous reactions
646 : !-----------------------------------------------------------------
647 : real(r8), parameter :: gamma_n2o5 = 0.02_r8 ! JPL19
648 : real(r8), parameter :: gamma_ho2 = 0.10_r8 ! Gaubert et al., https://doi.org/10.5194/acp-20-14617-2020
649 : real(r8), parameter :: gamma_no2 = 8.0e-6_r8 ! Liu et al., Environ.Sci.&Tech, 53, 3517, 2019 doi:10.1021/acs.est.8b06367
650 : real(r8), parameter :: gamma_no3 = 0.002_r8 ! JPL19
651 : real(r8), parameter :: gamma_glyoxal = 2.0e-4_r8 ! Washenfelder et al, JGR, 2011
652 : !TS1 species
653 : real(r8), parameter :: gamma_isopnita = 0.005_r8 ! from Fisher et al., ACP, 2016
654 : real(r8), parameter :: gamma_isopnitb = 0.005_r8 !
655 : real(r8), parameter :: gamma_onitr = 0.005_r8 !
656 : real(r8), parameter :: gamma_honitr = 0.005_r8 !
657 : real(r8), parameter :: gamma_terpnit = 0.01_r8 !
658 : real(r8), parameter :: gamma_nterpooh = 0.01_r8 !
659 : real(r8), parameter :: gamma_nc4cho = 0.02_r8 !
660 : real(r8), parameter :: gamma_nc4ch2oh = 0.005_r8 !
661 : !TS2 species
662 : real(r8), parameter :: gamma_isopfdn = 0.1_r8 ! Marais 2015 for C5-LVOC
663 : real(r8), parameter :: gamma_isopfnp = 0.1_r8 ! Marais 2015 for C5-LVOC
664 : real(r8), parameter :: gamma_isopn2b = 0.02_r8 ! All isoprene nitrates Wolfe
665 : real(r8), parameter :: gamma_isopn1d = 0.02_r8 !
666 : real(r8), parameter :: gamma_isopn4d = 0.02_r8 !
667 : real(r8), parameter :: gamma_inoohd = 0.02_r8 !
668 : real(r8), parameter :: gamma_inheb = 0.02_r8 !Marais 2015 for IEPOX
669 : real(r8), parameter :: gamma_inhed = 0.02_r8 !Marais 2015 for IEPOX
670 : real(r8), parameter :: gamma_macrn = 0.02_r8 !
671 : real(r8), parameter :: gamma_isophfp = 0.1_r8 !Marais 2015 for C5-LVOC
672 : real(r8), parameter :: gamma_iepox = 0.0042_r8 !Marais 2015 for IEPOX
673 : real(r8), parameter :: gamma_dhpmpal = 0.1_r8 !Marais 2015 for C5-LVOC
674 : real(r8), parameter :: gamma_iche = 0.0042_r8 !Marais 2015 for IEPOX
675 : real(r8), parameter :: gamma_isopfnc = 0.1_r8 ! Marais 2015 for C5-LVOC
676 : real(r8), parameter :: gamma_isopfdnc = 0.1_r8 ! Marais 2015 for C5-LVOC
677 : real(r8), parameter :: gamma_terpnt = 0.02_r8 !
678 : real(r8), parameter :: gamma_terpnt1 = 0.02_r8 !
679 : real(r8), parameter :: gamma_terpnpt = 0.02_r8 !
680 : real(r8), parameter :: gamma_terpnpt1 = 0.02_r8 !
681 : real(r8), parameter :: gamma_terpfdn = 0.1_r8 !
682 : real(r8), parameter :: gamma_sqtn = 0.1_r8 !
683 : real(r8), parameter :: gamma_terphfn = 0.1_r8 !
684 : real(r8), parameter :: gamma_terpdhdp = 0.1_r8 !
685 : real(r8), parameter :: gamma_terpacid = 0.01_r8 !
686 :
687 : integer :: i, k
688 : integer :: l
689 0 : real(r8) :: tp(ncol) ! 300/t
690 0 : real(r8) :: tinv(ncol) ! 1/t
691 0 : real(r8) :: ko(ncol)
692 0 : real(r8) :: term1(ncol)
693 0 : real(r8) :: term2(ncol)
694 0 : real(r8) :: kinf(ncol)
695 0 : real(r8) :: fc(ncol)
696 0 : real(r8) :: xr(ncol)
697 0 : real(r8) :: sur(ncol)
698 0 : real(r8) :: sqrt_t(ncol) ! sqrt( temp )
699 0 : real(r8) :: sqrt_t_58(ncol) ! sqrt( temp / 58.)
700 0 : real(r8) :: exp_fac(ncol) ! vector exponential
701 0 : real(r8) :: lwc(ncol)
702 0 : real(r8) :: ko_m(ncol)
703 0 : real(r8) :: k0(ncol)
704 0 : real(r8) :: kinf_m(ncol)
705 0 : real(r8) :: o2(ncol)
706 : real(r8) :: c_n2o5, c_ho2, c_no2, c_no3, c_glyoxal
707 : !TS1 species
708 : real(r8) :: c_isopnita, c_isopnitb, c_onitr, c_honitr, c_terpnit, c_nterpooh
709 : real(r8) :: c_nc4cho, c_nc4ch2oh
710 : !T2 species
711 : real(r8) :: c_isopfdn, c_isopfnp, c_isopn2b, c_isopn1d, c_isopn4d, c_inoohd
712 : real(r8) :: c_inheb, c_inhed, c_macrn, c_isophfp, c_iepox, c_dhpmpal
713 : real(r8) :: c_iche, c_isopfnc, c_isopfdnc
714 : real(r8) :: c_terpnt, c_terpnt1, c_terpnpt, c_terpnpt1, c_terpfdn, c_sqtn, c_terphfn, c_terpdhdp, c_terpacid
715 :
716 : real(r8) :: amas
717 : !-----------------------------------------------------------------
718 : ! ... density of sulfate aerosol
719 : !-----------------------------------------------------------------
720 : real(r8), parameter :: gam1 = 0.04_r8 ! N2O5+SUL ->2HNO3
721 : real(r8), parameter :: wso4 = 98._r8
722 : real(r8), parameter :: den = 1.15_r8 ! each molecule of SO4(aer) density g/cm3
723 : !-------------------------------------------------
724 : ! ... volume of sulfate particles
725 : ! assuming mean rm
726 : ! continient 0.05um 0.07um 0.09um
727 : ! ocean 0.09um 0.25um 0.37um
728 : ! 0.16um Blake JGR,7195, 1995
729 : !-------------------------------------------------
730 : real(r8), parameter :: rm1 = 0.16_r8*1.e-4_r8 ! mean radii in cm
731 : real(r8), parameter :: fare = 4._r8*pi*rm1*rm1 ! each mean particle(r=0.1u) area cm2/cm3
732 :
733 : !-----------------------------------------------------------------------
734 : ! ... Aqueous phase sulfur quantities for SO2 + H2O2 and SO2 + O3
735 : !-----------------------------------------------------------------------
736 : real(r8), parameter :: HENRY298_H2O2 = 7.45e+04_r8
737 : real(r8), parameter :: H298_H2O2 = -1.45e+04_r8
738 : real(r8), parameter :: HENRY298_SO2 = 1.23e+00_r8
739 : real(r8), parameter :: H298_SO2 = -6.25e+03_r8
740 : real(r8), parameter :: K298_SO2_HSO3 = 1.3e-02_r8
741 : real(r8), parameter :: H298_SO2_HSO3 = -4.16e+03_r8
742 : real(r8), parameter :: R_CONC = 82.05e+00_r8 / avo
743 : real(r8), parameter :: R_CAL = rgas * 0.239006e+00_r8
744 : real(r8), parameter :: K_AQ = 7.57e+07_r8
745 : real(r8), parameter :: ER_AQ = 4.43e+03_r8
746 :
747 : real(r8), parameter :: HENRY298_O3 = 1.13e-02_r8
748 : real(r8), parameter :: H298_O3 = -5.04e+03_r8
749 : real(r8), parameter :: K298_HSO3_SO3 = 6.6e-08_r8
750 : real(r8), parameter :: H298_HSO3_SO3 = -2.23e+03_r8
751 : real(r8), parameter :: K0_AQ = 2.4e+04_r8
752 : real(r8), parameter :: ER0_AQ = 0.0e+00_r8
753 : real(r8), parameter :: K1_AQ = 3.7e+05_r8
754 : real(r8), parameter :: ER1_AQ = 5.53e+03_r8
755 : real(r8), parameter :: K2_AQ = 1.5e+09_r8
756 : real(r8), parameter :: ER2_AQ = 5.28e+03_r8
757 :
758 : real(r8), parameter :: pH = 4.5e+00_r8
759 :
760 0 : real(r8), pointer :: sfc(:), dm_aer(:)
761 : integer :: ntot_amode
762 :
763 0 : real(r8), pointer :: sfc_array(:,:,:), dm_array(:,:,:)
764 : !TS2
765 0 : real(r8) :: aterm(ncol)
766 : real(r8) :: natom
767 : real(r8) :: nyield
768 : real(r8) :: acorr
769 : real(r8) :: exp_natom
770 :
771 : ! get info about the modal aerosols
772 : ! get ntot_amode
773 0 : call rad_cnst_get_info(0, nmodes=ntot_amode)
774 :
775 0 : if (ntot_amode>0) then
776 0 : allocate(sfc_array(pcols,pver,ntot_amode), dm_array(pcols,pver,ntot_amode) )
777 : else
778 0 : allocate(sfc_array(pcols,pver,5), dm_array(pcols,pver,5) )
779 : endif
780 :
781 0 : sfc_array(:,:,:) = 0._r8
782 0 : dm_array(:,:,:) = 0._r8
783 0 : sad_trop(:,:) = 0._r8
784 0 : reff_trop(:,:) = 0._r8
785 :
786 0 : if( usr_NO2_aer_ndx > 0 .or. usr_NO3_aer_ndx > 0 .or. usr_N2O5_aer_ndx > 0 .or. usr_HO2_aer_ndx > 0 ) then
787 :
788 : ! sad_trop should be set outside of usrrxt ??
789 0 : if( carma_hetchem_feedback ) then
790 0 : sad_trop(:ncol,:pver)=strato_sad(:ncol,:pver)
791 : else
792 :
793 : call aero_model_surfarea( &
794 : mmr, rm1, relhum, pmid, temp, strato_sad, sulfate, m, tropchemlev, dlat, &
795 0 : het1_ndx, pbuf, ncol, sfc_array, dm_array, sad_trop, reff_trop )
796 :
797 : endif
798 : endif
799 :
800 0 : level_loop : do k = 1,pver
801 0 : tinv(:) = 1._r8 / temp(:ncol,k)
802 0 : tp(:) = 300._r8 * tinv(:)
803 0 : sqrt_t(:) = sqrt( temp(:ncol,k) )
804 0 : sqrt_t_58(:) = sqrt( temp(:ncol,k) / 58.0_r8 )
805 :
806 : !-----------------------------------------------------------------
807 : ! ... o + o2 + m --> o3 + m (JPL15-10)
808 : !-----------------------------------------------------------------
809 0 : if( usr_O_O2_ndx > 0 ) then
810 0 : rxt(:,k,usr_O_O2_ndx) = 6.e-34_r8 * tp(:)**2.4_r8
811 : end if
812 0 : if( usr_OA_O2_ndx > 0 ) then
813 0 : rxt(:,k,usr_OA_O2_ndx) = 6.e-34_r8 * tp(:)**2.4_r8
814 : end if
815 :
816 : !-----------------------------------------------------------------
817 : ! ... o + o + m -> o2 + m
818 : !-----------------------------------------------------------------
819 0 : if ( usr_O_O_ndx > 0 ) then
820 0 : rxt(:,k,usr_O_O_ndx) = 2.76e-34_r8 * exp( 720.0_r8*tinv(:) )
821 : end if
822 :
823 : !-----------------------------------------------------------------
824 : ! ... cl2o2 + m -> 2*clo + m (JPL15-10)
825 : !-----------------------------------------------------------------
826 0 : if ( usr_CL2O2_M_ndx > 0 ) then
827 0 : if ( tag_CLO_CLO_M_ndx > 0 ) then
828 0 : ko(:) = 2.16e-27_r8 * exp( 8537.0_r8* tinv(:) )
829 0 : rxt(:,k,usr_CL2O2_M_ndx) = rxt(:,k,tag_CLO_CLO_M_ndx)/ko(:)
830 : else
831 0 : rxt(:,k,usr_CL2O2_M_ndx) = 0._r8
832 : end if
833 : end if
834 :
835 : !-----------------------------------------------------------------
836 : ! ... so3 + 2*h2o --> h2so4 + h2o
837 : ! Note: this reaction proceeds by the 2 intermediate steps below
838 : ! so3 + h2o --> adduct
839 : ! adduct + h2o --> h2so4 + h2o
840 : ! (Lovejoy et al., JCP, pp. 19911-19916, 1996)
841 : ! The first order rate constant used here is recommended by JPL 2011.
842 : ! This rate involves the water vapor number density.
843 : !-----------------------------------------------------------------
844 :
845 0 : if ( usr_SO3_H2O_ndx > 0 ) then
846 0 : call comp_exp( exp_fac, 6540.0_r8*tinv(:), ncol )
847 0 : if( h2o_ndx > 0 ) then
848 0 : fc(:) = 8.5e-21_r8 * m(:,k) * h2ovmr(:,k) * exp_fac(:)
849 : else
850 0 : fc(:) = 8.5e-21_r8 * invariants(:,k,inv_h2o_ndx) * exp_fac(:)
851 : end if
852 0 : rxt(:,k,usr_SO3_H2O_ndx) = 1.0e-20_r8 * fc(:)
853 : end if
854 :
855 : !-----------------------------------------------------------------
856 : ! ... n2o5 + m --> no2 + no3 + m (JPL15-10)
857 : !-----------------------------------------------------------------
858 0 : if( usr_N2O5_M_ndx > 0 ) then
859 0 : if( tag_NO2_NO3_ndx > 0 ) then
860 0 : call comp_exp( exp_fac, -10840.0_r8*tinv, ncol )
861 0 : rxt(:,k,usr_N2O5_M_ndx) = rxt(:,k,tag_NO2_NO3_ndx) * 1.724138e26_r8 * exp_fac(:)
862 : else
863 0 : rxt(:,k,usr_N2O5_M_ndx) = 0._r8
864 : end if
865 : end if
866 0 : if( usr_XNO2NO3_M_ndx > 0 ) then
867 0 : if( tag_NO2_NO3_ndx > 0 ) then
868 0 : call comp_exp( exp_fac, -10840.0_r8*tinv, ncol )
869 0 : rxt(:,k,usr_XNO2NO3_M_ndx) = rxt(:,k,tag_NO2_NO3_ndx) *1.724138e26_r8 * exp_fac(:)
870 : else
871 0 : rxt(:,k,usr_XNO2NO3_M_ndx) = 0._r8
872 : end if
873 : end if
874 0 : if( usr_NO2XNO3_M_ndx > 0 ) then
875 0 : if( tag_NO2_NO3_ndx > 0 ) then
876 0 : call comp_exp( exp_fac, -10840.0_r8*tinv, ncol )
877 0 : rxt(:,k,usr_NO2XNO3_M_ndx) = rxt(:,k,tag_NO2_NO3_ndx) * 1.734138e26_r8 * exp_fac(:)
878 : else
879 0 : rxt(:,k,usr_NO2XNO3_M_ndx) = 0._r8
880 : end if
881 : end if
882 :
883 : !-----------------------------------------------------------------
884 : ! set rates for:
885 : ! ... hno3 + oh --> no3 + h2o
886 : ! ho2no2 + m --> ho2 + no2 + m
887 : !-----------------------------------------------------------------
888 0 : if( usr_HNO3_OH_ndx > 0 ) then
889 0 : call comp_exp( exp_fac, 1335._r8*tinv, ncol )
890 0 : ko(:) = m(:,k) * 6.5e-34_r8 * exp_fac(:)
891 0 : call comp_exp( exp_fac, 2199._r8*tinv, ncol )
892 0 : ko(:) = ko(:) / (1._r8 + ko(:)/(2.7e-17_r8*exp_fac(:)))
893 0 : call comp_exp( exp_fac, 460._r8*tinv, ncol )
894 0 : rxt(:,k,usr_HNO3_OH_ndx) = ko(:) + 2.4e-14_r8*exp_fac(:)
895 : end if
896 0 : if( usr_XHNO3_OH_ndx > 0 ) then
897 0 : call comp_exp( exp_fac, 1335._r8*tinv, ncol )
898 0 : ko(:) = m(:,k) * 6.5e-34_r8 * exp_fac(:)
899 0 : call comp_exp( exp_fac, 2199._r8*tinv, ncol )
900 0 : ko(:) = ko(:) / (1._r8 + ko(:)/(2.7e-17_r8*exp_fac(:)))
901 0 : call comp_exp( exp_fac, 460._r8*tinv, ncol )
902 0 : rxt(:,k,usr_XHNO3_OH_ndx) = ko(:) + 2.4e-14_r8*exp_fac(:)
903 : end if
904 0 : if( usr_HO2NO2_M_ndx > 0 ) then
905 0 : if( tag_NO2_HO2_ndx > 0 ) then
906 0 : call comp_exp( exp_fac, -10900._r8*tinv, ncol )
907 0 : rxt(:,k,usr_HO2NO2_M_ndx) = rxt(:,k,tag_NO2_HO2_ndx) * exp_fac(:) / 2.1e-27_r8
908 : else
909 0 : rxt(:,k,usr_HO2NO2_M_ndx) = 0._r8
910 : end if
911 : end if
912 0 : if( usr_XHO2NO2_M_ndx > 0 ) then
913 0 : if( tag_NO2_HO2_ndx > 0 ) then
914 0 : call comp_exp( exp_fac, -10900._r8*tinv, ncol )
915 0 : rxt(:,k,usr_XHO2NO2_M_ndx) = rxt(:,k,tag_NO2_HO2_ndx) * exp_fac(:) / 2.1e-27_r8
916 : else
917 0 : rxt(:,k,usr_XHO2NO2_M_ndx) = 0._r8
918 : end if
919 : end if
920 : !-----------------------------------------------------------------
921 : ! ... co + oh --> co2 + ho2 (new single reaction for combined branches [JPL19])
922 : !-----------------------------------------------------------------
923 0 : if( usr_CO_OH_ndx > 0 ) then
924 0 : ko (:) = 6.9e-33_r8 * ( 298._r8 / temp(:ncol,k) )**(2.1_r8)
925 0 : kinf(:) = 1.1e-12_r8 * ( 298._r8 / temp(:ncol,k) )**(-1.3_r8)
926 :
927 0 : term2(:) = (1 + (log10( ko(:)*m(:,k) / kinf(:) ))**2)**(-1)
928 :
929 0 : term1(:) = (kinf(:) * ko(:)*m(:,k)) / (kinf(:) + ko(:)*m(:,k)) * (0.6_r8)**term2(:)
930 :
931 0 : rxt(:ncol,k,usr_CO_OH_ndx) = term1(:) + 1.85e-13_r8 * exp(-65._r8/temp(:ncol,k)) * (1._r8 - term1(:)/kinf(:))
932 :
933 : end if
934 : !-----------------------------------------------------------------
935 : ! ... co + oh --> co2 + ho2 (combined branches - do not use with CO_OH_b)
936 : ! note: for mechanisms prior to Dec 2022
937 : !-----------------------------------------------------------------
938 0 : if( usr_CO_OH_a_ndx > 0 ) then
939 0 : rxt(:,k,usr_CO_OH_a_ndx) = 1.5e-13_r8 * &
940 0 : (1._r8 + 6.e-7_r8*boltz_cgs*m(:,k)*temp(:ncol,k))
941 : end if
942 : !-----------------------------------------------------------------
943 : ! ... co + oh --> co2 + h (second branch JPL15-10, with CO+OH+M)
944 : ! note: for mechanisms prior to Dec 2022
945 : !-----------------------------------------------------------------
946 0 : if( usr_CO_OH_b_ndx > 0 ) then
947 0 : kinf(:) = 2.1e+09_r8 * (temp(:ncol,k)/ t0)**(6.1_r8)
948 0 : ko (:) = 1.5e-13_r8
949 :
950 0 : term1(:) = ko(:) / ( (kinf(:) / m(:,k)) )
951 0 : term2(:) = ko(:) / (1._r8 + term1(:))
952 :
953 0 : term1(:) = log10( term1(:) )
954 0 : term1(:) = 1.0_r8 / (1.0_r8 + term1(:)*term1(:))
955 :
956 0 : rxt(:ncol,k,usr_CO_OH_b_ndx) = term2(:) * (0.6_r8)**term1(:)
957 : end if
958 :
959 : !-----------------------------------------------------------------
960 : ! ... ho2 + ho2 --> h2o2
961 : ! note: this rate involves the water vapor number density
962 : !-----------------------------------------------------------------
963 0 : if( usr_HO2_HO2_ndx > 0 ) then
964 :
965 0 : call comp_exp( exp_fac, 460._r8*tinv, ncol )
966 0 : ko(:) = 3.0e-13_r8 * exp_fac(:)
967 0 : call comp_exp( exp_fac, 920._r8*tinv, ncol )
968 0 : kinf(:) = 2.1e-33_r8 * m(:,k) * exp_fac(:)
969 0 : call comp_exp( exp_fac, 2200._r8*tinv, ncol )
970 :
971 0 : if( h2o_ndx > 0 ) then
972 0 : fc(:) = 1._r8 + 1.4e-21_r8 * m(:,k) * h2ovmr(:,k) * exp_fac(:)
973 : else
974 0 : fc(:) = 1._r8 + 1.4e-21_r8 * invariants(:,k,inv_h2o_ndx) * exp_fac(:)
975 : end if
976 0 : rxt(:,k,usr_HO2_HO2_ndx) = (ko(:) + kinf(:)) * fc(:)
977 :
978 : end if
979 :
980 : !-----------------------------------------------------------------
981 : ! ... mco3 + no2 -> mpan
982 : !-----------------------------------------------------------------
983 0 : if( usr_MCO3_NO2_ndx > 0 ) then
984 0 : rxt(:,k,usr_MCO3_NO2_ndx) = 1.1e-11_r8 * tp(:) / m(:,k)
985 : end if
986 0 : if( usr_MCO3_XNO2_ndx > 0 ) then
987 0 : rxt(:,k,usr_MCO3_XNO2_ndx) = 1.1e-11_r8 * tp(:) / m(:,k)
988 : end if
989 :
990 : !-----------------------------------------------------------------
991 : ! ... pan + m --> ch3co3 + no2 + m (JPL15-10)
992 : !-----------------------------------------------------------------
993 0 : call comp_exp( exp_fac, -14000._r8*tinv, ncol )
994 0 : if( usr_PAN_M_ndx > 0 ) then
995 0 : if( tag_CH3CO3_NO2_ndx > 0 ) then
996 0 : rxt(:,k,usr_PAN_M_ndx) = rxt(:,k,tag_CH3CO3_NO2_ndx) * 1.111e28_r8 * exp_fac(:)
997 : else
998 0 : rxt(:,k,usr_PAN_M_ndx) = 0._r8
999 : end if
1000 : end if
1001 0 : if( usr_XPAN_M_ndx > 0 ) then
1002 0 : if( tag_CH3CO3_NO2_ndx > 0 ) then
1003 0 : rxt(:,k,usr_XPAN_M_ndx) = rxt(:,k,tag_CH3CO3_NO2_ndx) * 1.111e28_r8 * exp_fac(:)
1004 : else
1005 0 : rxt(:,k,usr_XPAN_M_ndx) = 0._r8
1006 : end if
1007 : end if
1008 :
1009 : !-----------------------------------------------------------------
1010 : ! ... mpan + m --> mco3 + no2 + m (JPL15-10)
1011 : !-----------------------------------------------------------------
1012 0 : if( usr_MPAN_M_ndx > 0 ) then
1013 0 : if( tag_MCO3_NO2_ndx > 0 ) then
1014 0 : rxt(:,k,usr_MPAN_M_ndx) = rxt(:,k,tag_MCO3_NO2_ndx) * 1.111e28_r8 * exp_fac(:)
1015 : else
1016 0 : rxt(:,k,usr_MPAN_M_ndx) = 0._r8
1017 : end if
1018 : end if
1019 0 : if( usr_XMPAN_M_ndx > 0 ) then
1020 0 : if( tag_MCO3_NO2_ndx > 0 ) then
1021 0 : rxt(:,k,usr_XMPAN_M_ndx) = rxt(:,k,tag_MCO3_NO2_ndx) * 1.111e28_r8 * exp_fac(:)
1022 : else
1023 0 : rxt(:,k,usr_XMPAN_M_ndx) = 0._r8
1024 : end if
1025 : end if
1026 :
1027 : !lke-TS1
1028 : !-----------------------------------------------------------------
1029 : ! ... pbznit + m --> acbzo2 + no2 + m
1030 : !-----------------------------------------------------------------
1031 0 : if( usr_PBZNIT_M_ndx > 0 ) then
1032 0 : if( tag_ACBZO2_NO2_ndx > 0 ) then
1033 0 : rxt(:,k,usr_PBZNIT_M_ndx) = rxt(:,k,tag_ACBZO2_NO2_ndx) * 1.111e28_r8 * exp_fac(:)
1034 : else
1035 0 : rxt(:,k,usr_PBZNIT_M_ndx) = 0._r8
1036 : end if
1037 : end if
1038 : !-----------------------------------------------------------------
1039 : ! ... TERPAPAN + m --> TERPACO3 + no2 + m
1040 : !-----------------------------------------------------------------
1041 0 : if( usr_TERPAPAN_M_ndx > 0 ) then
1042 0 : if( tag_TERPACO3_NO2_ndx > 0 ) then
1043 0 : rxt(:,k,usr_TERPAPAN_M_ndx) = rxt(:,k,tag_TERPACO3_NO2_ndx) * 1.111e28_r8 * exp_fac(:)
1044 : else
1045 0 : rxt(:,k,usr_TERPAPAN_M_ndx) = 0._r8
1046 : end if
1047 : end if
1048 : !-----------------------------------------------------------------
1049 : ! ... TERPA2PAN + m --> TERPA2CO3 + no2 + m
1050 : !-----------------------------------------------------------------
1051 0 : if( usr_TERPA2PAN_M_ndx > 0 ) then
1052 0 : if( tag_TERPA2CO3_NO2_ndx > 0 ) then
1053 0 : rxt(:,k,usr_TERPA2PAN_M_ndx) = rxt(:,k,tag_TERPA2CO3_NO2_ndx) * 1.111e28_r8 * exp_fac(:)
1054 : else
1055 0 : rxt(:,k,usr_TERPA2PAN_M_ndx) = 0._r8
1056 : end if
1057 : end if
1058 : !-----------------------------------------------------------------
1059 : ! ... TERPA3PAN + m --> TERPA3CO3 + no2 + m
1060 : !-----------------------------------------------------------------
1061 0 : if( usr_TERPA3PAN_M_ndx > 0 ) then
1062 0 : if( tag_TERPA3CO3_NO2_ndx > 0 ) then
1063 0 : rxt(:,k,usr_TERPA3PAN_M_ndx) = rxt(:,k,tag_TERPA3CO3_NO2_ndx) * 1.111e28_r8 * exp_fac(:)
1064 : else
1065 0 : rxt(:,k,usr_TERPA3PAN_M_ndx) = 0._r8
1066 : end if
1067 : end if
1068 : !-----------------------------------------------------------------
1069 : ! ... xooh + oh -> h2o + oh
1070 : !-----------------------------------------------------------------
1071 0 : if( usr_XOOH_OH_ndx > 0 ) then
1072 0 : call comp_exp( exp_fac, 253._r8*tinv, ncol )
1073 0 : rxt(:,k,usr_XOOH_OH_ndx) = temp(:ncol,k)**2._r8 * 7.69e-17_r8 * exp_fac(:)
1074 : end if
1075 :
1076 : !-----------------------------------------------------------------
1077 : ! ... ch3coch3 + oh -> ro2 + h2o
1078 : !-----------------------------------------------------------------
1079 0 : if( usr_CH3COCH3_OH_ndx > 0 ) then
1080 0 : call comp_exp( exp_fac, -2000._r8*tinv, ncol )
1081 0 : rxt(:,k,usr_CH3COCH3_OH_ndx) = 3.82e-11_r8 * exp_fac(:) + 1.33e-13_r8
1082 : end if
1083 :
1084 : !-----------------------------------------------------------------
1085 : ! ... DMS + OH --> .5 * SO2
1086 : ! JPL15-10 (use [O2] = 0.21*[M])
1087 : ! k = 8.2E-39 * exp(5376/T) * [O2] / (1 + 1.05E-5 *([O2]/[M]) * exp(3644/T))
1088 : !-----------------------------------------------------------------
1089 0 : if( usr_DMS_OH_ndx > 0 ) then
1090 0 : call comp_exp( exp_fac, 3644._r8*tinv, ncol )
1091 0 : ko(:) = 1._r8 + 1.05e-5_r8 * exp_fac * 0.21_r8
1092 0 : call comp_exp( exp_fac, 5376._r8*tinv, ncol )
1093 0 : rxt(:,k,usr_DMS_OH_ndx) = 8.2e-39_r8 * exp_fac * m(:,k) * 0.21_r8 / ko(:)
1094 : end if
1095 :
1096 : !-----------------------------------------------------------------
1097 : ! ... SO2 + OH --> SO4 (REFERENCE?? - not Liao)
1098 : !-----------------------------------------------------------------
1099 0 : if( usr_SO2_OH_ndx > 0 ) then
1100 0 : fc(:) = 3.0e-31_r8 *(300._r8*tinv(:))**3.3_r8
1101 0 : ko(:) = fc(:)*m(:,k)/(1._r8 + fc(:)*m(:,k)/1.5e-12_r8)
1102 0 : rxt(:,k,usr_SO2_OH_ndx) = ko(:)*.6_r8**(1._r8 + (log10(fc(:)*m(:,k)/1.5e-12_r8))**2._r8)**(-1._r8)
1103 : end if
1104 : !RHS TS2
1105 : !-----------------------------------------------------------------
1106 : ! ... ISOPZD1O2 --> HPALD etc. Wennberg 2018 for rate
1107 : !-----------------------------------------------------------------
1108 0 : if( usr_ISOPZD1O2_ndx > 0 ) then
1109 0 : call comp_exp( exp_fac, -12200._r8*tinv, ncol )
1110 0 : ko(:) = 5.05e15_r8 * exp_fac(:)
1111 0 : call comp_exp( exp_fac, 1.e8_r8*tinv**3._r8, ncol )
1112 0 : rxt(:,k,usr_ISOPZD1O2_ndx) = ko(:)*exp_fac(:)
1113 : end if
1114 : !-----------------------------------------------------------------
1115 : ! ... ISOPZD4O2 --> HPALD etc. Wennberg 2018 for rate
1116 : !-----------------------------------------------------------------
1117 0 : if( usr_ISOPZD4O2_ndx > 0 ) then
1118 0 : call comp_exp( exp_fac, -7160._r8*tinv, ncol )
1119 0 : ko(:) = 2.22e9_r8 * exp_fac(:)
1120 0 : call comp_exp( exp_fac, 1.e8_r8*tinv**3._r8, ncol )
1121 0 : rxt(:,k,usr_ISOPZD4O2_ndx) = ko(:)*exp_fac(:)
1122 : end if
1123 : !-----------------------------------------------------------------
1124 : ! ... ISOPB1O2_NOn Temp/Pressure Dependent Nitrate Yield
1125 : !-----------------------------------------------------------------
1126 0 : if( usr_ISOPB1O2_NOn_ndx > 0 ) then
1127 0 : nyield = (1._r8-0.14_r8)/0.14_r8
1128 0 : natom = 6.0_r8
1129 0 : exp_natom = exp( natom )
1130 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1131 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1132 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1133 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1134 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1135 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1136 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1137 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1138 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1139 0 : rxt(:,k,usr_ISOPB1O2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1140 : rxt(:,k,usr_ISOPB1O2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1141 : end if
1142 : !-----------------------------------------------------------------
1143 : ! ... ISOPB4O2_NOn Temp/Pressure Dependent Nitrate Yield
1144 : !-----------------------------------------------------------------
1145 0 : if( usr_ISOPB4O2_NOn_ndx > 0 ) then
1146 0 : nyield = (1._r8-0.13_r8)/0.13_r8
1147 0 : natom = 6.0_r8
1148 0 : exp_natom = exp( natom )
1149 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1150 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1151 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1152 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1153 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1154 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1155 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1156 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1157 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1158 0 : rxt(:,k,usr_ISOPB4O2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1159 : rxt(:,k,usr_ISOPB4O2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1160 : end if
1161 : !-----------------------------------------------------------------
1162 : ! ... ISOPED1O2_NOn Temp/Pressure Dependent Nitrate Yield
1163 : !-----------------------------------------------------------------
1164 0 : if( usr_ISOPED1O2_NOn_ndx > 0 ) then
1165 0 : nyield = (1._r8-0.12_r8)/0.12_r8
1166 0 : natom = 6.0_r8
1167 0 : exp_natom = exp( natom )
1168 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1169 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1170 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1171 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1172 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1173 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1174 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1175 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1176 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1177 0 : rxt(:,k,usr_ISOPED1O2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1178 : rxt(:,k,usr_ISOPED1O2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1179 : end if
1180 : !-----------------------------------------------------------------
1181 : ! ... ISOPED4O2_NOn Temp/Pressure Dependent Nitrate Yield
1182 : !-----------------------------------------------------------------
1183 0 : if( usr_ISOPED4O2_NOn_ndx > 0 ) then
1184 0 : nyield = (1._r8-0.12_r8)/0.12_r8
1185 0 : natom = 6.0_r8
1186 0 : exp_natom = exp( natom )
1187 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1188 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1189 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1190 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1191 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1192 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1193 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1194 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1195 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1196 0 : rxt(:,k,usr_ISOPED4O2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1197 : rxt(:,k,usr_ISOPED4O2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1198 : end if
1199 : !-----------------------------------------------------------------
1200 : ! ... ISOPZD1O2_NOn Temp/Pressure Dependent Nitrate Yield
1201 : !-----------------------------------------------------------------
1202 0 : if( usr_ISOPZD1O2_NOn_ndx > 0 ) then
1203 0 : nyield = (1._r8-0.12_r8)/0.12_r8
1204 0 : natom = 6.0_r8
1205 0 : exp_natom = exp( natom )
1206 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1207 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1208 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1209 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1210 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1211 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1212 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1213 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1214 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1215 0 : rxt(:,k,usr_ISOPZD1O2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1216 : rxt(:,k,usr_ISOPZD1O2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1217 : end if
1218 : !-----------------------------------------------------------------
1219 : ! ... ISOPZD4O2_NOn Temp/Pressure Dependent Nitrate Yield
1220 : !-----------------------------------------------------------------
1221 0 : if( usr_ISOPZD4O2_NOn_ndx > 0 ) then
1222 0 : nyield = (1._r8-0.12_r8)/0.12_r8
1223 0 : natom = 6.0_r8
1224 0 : exp_natom = exp( natom )
1225 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1226 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1227 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1228 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1229 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1230 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1231 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1232 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1233 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1234 0 : rxt(:,k,usr_ISOPZD4O2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1235 : rxt(:,k,usr_ISOPZD4O2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1236 : end if
1237 : !-----------------------------------------------------------------
1238 : ! ... ISOPNO3_NOn Temp/Pressure Dependent Nitrate Yield
1239 : !-----------------------------------------------------------------
1240 0 : if( usr_ISOPNO3_NOn_ndx > 0 ) then
1241 0 : nyield = (1._r8-0.135_r8)/0.135_r8
1242 0 : natom = 9.0_r8
1243 0 : exp_natom = exp( natom )
1244 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1245 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1246 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1247 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1248 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1249 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1250 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1251 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1252 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1253 0 : rxt(:,k,usr_ISOPNO3_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1254 : rxt(:,k,usr_ISOPNO3_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1255 : end if
1256 : !-----------------------------------------------------------------
1257 : ! ... MVKO2_NOn Temp/Pressure Dependent Nitrate Yield
1258 : !-----------------------------------------------------------------
1259 0 : if( usr_MVKO2_NOn_ndx > 0 ) then
1260 0 : nyield = (1._r8-0.04_r8)/0.04_r8
1261 0 : natom = 6.0_r8
1262 0 : exp_natom = exp( natom )
1263 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1264 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1265 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1266 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1267 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1268 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1269 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1270 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1271 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1272 0 : rxt(:,k,usr_MVKO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1273 : rxt(:,k,usr_MVKO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1274 : end if
1275 : !-----------------------------------------------------------------
1276 : ! ... MACRO2_NOn Temp/Pressure Dependent Nitrate Yield
1277 : !-----------------------------------------------------------------
1278 0 : if( usr_MACRO2_NOn_ndx > 0 ) then
1279 0 : nyield = (1._r8-0.06_r8)/0.06_r8
1280 0 : natom = 6.0_r8
1281 0 : exp_natom = exp( natom )
1282 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1283 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1284 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1285 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1286 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1287 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1288 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1289 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1290 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1291 0 : rxt(:,k,usr_MACRO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1292 : rxt(:,k,usr_MACRO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1293 : end if
1294 : !-----------------------------------------------------------------
1295 : ! ... IEPOXOO_NOn Temp/Pressure Dependent Nitrate Yield
1296 : !-----------------------------------------------------------------
1297 0 : if( usr_IEPOXOO_NOn_ndx > 0 ) then
1298 0 : nyield = (1._r8-0.025_r8)/0.025_r8
1299 0 : natom = 8.0_r8
1300 0 : exp_natom = exp( natom )
1301 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1302 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1303 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1304 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1305 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1306 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1307 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1308 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1309 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1310 0 : rxt(:,k,usr_IEPOXOO_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1311 : rxt(:,k,usr_IEPOXOO_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1312 : end if
1313 : !-----------------------------------------------------------------
1314 : ! ... ISOPN1DO2_NOn Temp/Pressure Dependent Nitrate Yield
1315 : !-----------------------------------------------------------------
1316 0 : if( usr_ISOPN1DO2_NOn_ndx > 0 ) then
1317 0 : nyield = (1._r8-0.084_r8)/0.084_r8
1318 0 : natom = 11.0_r8
1319 0 : exp_natom = exp( natom )
1320 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1321 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1322 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1323 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1324 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1325 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1326 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1327 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1328 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1329 0 : rxt(:,k,usr_ISOPN1DO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1330 : rxt(:,k,usr_ISOPN1DO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1331 : end if
1332 : !-----------------------------------------------------------------
1333 : ! ... ISOPN2BO2_NOn Temp/Pressure Dependent Nitrate Yield
1334 : !-----------------------------------------------------------------
1335 0 : if( usr_ISOPN2BO2_NOn_ndx > 0 ) then
1336 0 : nyield = (1._r8-0.065_r8)/0.065_r8
1337 0 : natom = 11.0_r8
1338 0 : exp_natom = exp( natom )
1339 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1340 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1341 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1342 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1343 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1344 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1345 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1346 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1347 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1348 0 : rxt(:,k,usr_ISOPN2BO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1349 : rxt(:,k,usr_ISOPN2BO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1350 : end if
1351 : !-----------------------------------------------------------------
1352 : ! ... ISOPN3BO2_NOn Temp/Pressure Dependent Nitrate Yield
1353 : !-----------------------------------------------------------------
1354 0 : if( usr_ISOPN3BO2_NOn_ndx > 0 ) then
1355 0 : nyield = (1._r8-0.053_r8)/0.053_r8
1356 0 : natom = 11.0_r8
1357 0 : exp_natom = exp( natom )
1358 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1359 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1360 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1361 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1362 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1363 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1364 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1365 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1366 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1367 0 : rxt(:,k,usr_ISOPN3BO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1368 : rxt(:,k,usr_ISOPN3BO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1369 : end if
1370 : !-----------------------------------------------------------------
1371 : ! ... ISOPN4DO2_NOn Temp/Pressure Dependent Nitrate Yield
1372 : !-----------------------------------------------------------------
1373 0 : if( usr_ISOPN4DO2_NOn_ndx > 0 ) then
1374 0 : nyield = (1._r8-0.165_r8)/0.165_r8
1375 0 : natom = 11.0_r8
1376 0 : exp_natom = exp( natom )
1377 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1378 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1379 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1380 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1381 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1382 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1383 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1384 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1385 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1386 0 : rxt(:,k,usr_ISOPN4DO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1387 : rxt(:,k,usr_ISOPN4DO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1388 : end if
1389 : !-----------------------------------------------------------------
1390 : ! ... ISOPNBNO3O2_NOn Temp/Pressure Dependent Nitrate Yield
1391 : !-----------------------------------------------------------------
1392 0 : if( usr_ISOPNBNO3O2_NOn_ndx > 0 ) then
1393 0 : nyield = (1._r8-0.203_r8)/0.203_r8
1394 0 : natom = 11.0_r8
1395 0 : exp_natom = exp( natom )
1396 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1397 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1398 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1399 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1400 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1401 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1402 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1403 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1404 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1405 0 : rxt(:,k,usr_ISOPNBNO3O2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1406 : rxt(:,k,usr_ISOPNBNO3O2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1407 : end if
1408 : !-----------------------------------------------------------------
1409 : ! ... ISOPNOOHBO2_NOn Temp/Pressure Dependent Nitrate Yield
1410 : !-----------------------------------------------------------------
1411 0 : if( usr_ISOPNOOHBO2_NOn_ndx > 0 ) then
1412 0 : nyield = (1._r8-0.141_r8)/0.141_r8
1413 0 : natom = 12.0_r8
1414 0 : exp_natom = exp( natom )
1415 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1416 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1417 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1418 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1419 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1420 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1421 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1422 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1423 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1424 0 : rxt(:,k,usr_ISOPNOOHBO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1425 : rxt(:,k,usr_ISOPNOOHBO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1426 : end if
1427 : !-----------------------------------------------------------------
1428 : ! ... ISOPNOOHDO2_NOn Temp/Pressure Dependent Nitrate Yield
1429 : !-----------------------------------------------------------------
1430 0 : if( usr_ISOPNOOHDO2_NOn_ndx > 0 ) then
1431 0 : nyield = (1._r8-0.045_r8)/0.045_r8
1432 0 : natom = 12.0_r8
1433 0 : exp_natom = exp( natom )
1434 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1435 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1436 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1437 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1438 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1439 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1440 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1441 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1442 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1443 0 : rxt(:,k,usr_ISOPNOOHDO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1444 : rxt(:,k,usr_ISOPNOOHDO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1445 : end if
1446 : !-----------------------------------------------------------------
1447 : ! ... NC4CHOO2_NOn Temp/Pressure Dependent Nitrate Yield
1448 : !-----------------------------------------------------------------
1449 0 : if( usr_NC4CHOO2_NOn_ndx > 0 ) then
1450 0 : nyield = (1._r8-0.021_r8)/0.021_r8
1451 0 : natom = 11.0_r8
1452 0 : exp_natom = exp( natom )
1453 : acorr = (2.0e-22_r8*exp_natom*2.45e19_r8)/(1._r8+((2.0e-22_r8* &
1454 : exp_natom*2.45e19_r8)/(0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))* &
1455 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*2.45e19_r8)/ &
1456 0 : (0.43_r8*(298._r8*(1._r8/293._r8))**8._r8)))**2._r8))
1457 : aterm(:) = (2.0e-22_r8*exp_natom*m(:,k))/(1._r8+((2.0e-22_r8* &
1458 : exp_natom*m(:,k))/(0.43_r8*(298._r8*tinv(:))**8._r8)))* &
1459 : 0.41_r8**(1._r8/(1._r8+(log10((2.0e-22_r8*exp_natom*m(:,k))/ &
1460 0 : (0.43_r8*(298._r8*tinv(:))**8._r8)))**2._r8))
1461 0 : call comp_exp( exp_fac, 360._r8*tinv, ncol )
1462 0 : rxt(:,k,usr_NC4CHOO2_NOn_ndx) = 2.7e-12_r8 * exp_fac(:)*aterm(:)/(aterm(:)+acorr*nyield)
1463 : rxt(:,k,usr_NC4CHOO2_NOa_ndx) = 2.7e-12_r8 * exp_fac(:)*acorr*nyield/(aterm(:)+acorr*nyield)
1464 : end if
1465 : !
1466 : ! reduced hydrocarbon scheme
1467 : !
1468 0 : if ( usr_C2O3_NO2_ndx > 0 ) then
1469 0 : ko(:) = 2.6e-28_r8 * m(:,k)
1470 0 : kinf(:) = 1.2e-11_r8
1471 0 : rxt(:,k,usr_C2O3_NO2_ndx) = (ko/(1._r8+ko/kinf)) * 0.6_r8**(1._r8/(1._r8+(log10(ko/kinf))**2))
1472 : end if
1473 0 : if ( usr_C2O3_XNO2_ndx > 0 ) then
1474 0 : ko(:) = 2.6e-28_r8 * m(:,k)
1475 0 : kinf(:) = 1.2e-11_r8
1476 0 : rxt(:,k,usr_C2O3_XNO2_ndx) = (ko/(1._r8+ko/kinf)) * 0.6_r8**(1._r8/(1._r8+(log10(ko/kinf))**2))
1477 : end if
1478 0 : if ( usr_C2H4_OH_ndx > 0 ) then
1479 0 : ko(:) = 1.0e-28_r8 * m(:,k)
1480 0 : kinf(:) = 8.8e-12_r8
1481 0 : rxt(:,k,usr_C2H4_OH_ndx) = (ko/(1._r8+ko/kinf)) * 0.6_r8**(1._r8/(1._r8+(log(ko/kinf))**2))
1482 : end if
1483 0 : if ( usr_XO2N_HO2_ndx > 0 ) then
1484 0 : rxt(:,k,usr_XO2N_HO2_ndx) = rxt(:,k,tag_XO2N_NO_ndx)*rxt(:,k,tag_XO2_HO2_ndx)/(rxt(:,k,tag_XO2_NO_ndx)+1.e-36_r8)
1485 : end if
1486 :
1487 : !
1488 : ! hydrolysis reactions on wetted aerosols
1489 : !
1490 : if( usr_NO2_aer_ndx > 0 .or. usr_NO3_aer_ndx > 0 .or. usr_N2O5_aer_ndx > 0 .or. usr_HO2_aer_ndx > 0 &
1491 0 : .or. usr_GLYOXAL_aer_ndx > 0 ) then
1492 :
1493 0 : long_loop : do i = 1,ncol
1494 :
1495 0 : sfc => sfc_array(i,k,:)
1496 0 : dm_aer => dm_array(i,k,:)
1497 :
1498 0 : c_n2o5 = 1.40e3_r8 * sqrt_t(i) ! mean molecular speed of n2o5
1499 0 : c_no3 = 1.85e3_r8 * sqrt_t(i) ! mean molecular speed of no3
1500 0 : c_no2 = 2.15e3_r8 * sqrt_t(i) ! mean molecular speed of no2
1501 0 : c_ho2 = 2.53e3_r8 * sqrt_t(i) ! mean molecular speed of ho2
1502 0 : c_glyoxal = 1.455e4_r8 * sqrt_t_58(i) ! mean molecular speed of ho2
1503 0 : c_isopnita = 1.20e3_r8 * sqrt_t(i) ! mean molecular speed of isopnita
1504 0 : c_isopnitb = 1.20e3_r8 * sqrt_t(i) ! mean molecular speed of isopnitb
1505 0 : c_onitr = 1.20e3_r8 * sqrt_t(i) ! mean molecular speed of onitr
1506 0 : c_honitr = 1.26e3_r8 * sqrt_t(i) ! mean molecular speed of honitr
1507 0 : c_terpnit = 0.992e3_r8 * sqrt_t(i) ! mean molecular speed of terpnit
1508 0 : c_nterpooh = 0.957e3_r8 * sqrt_t(i) ! mean molecular speed of nterpooh
1509 0 : c_nc4cho = 1.21e3_r8 * sqrt_t(i) ! mean molecular speed of nc4cho
1510 0 : c_nc4ch2oh = 1.20e3_r8 * sqrt_t(i) ! mean molecular speed of nc4ch2oh
1511 0 : c_isopfdn = 9.68e2_r8 * sqrt_t(i) ! mean molecular speed of isopfdn
1512 0 : c_isopfnp = 1.04e3_r8 * sqrt_t(i) ! mean molecular speed of isopfnp
1513 0 : c_isopn2b = 1.20e3_r8 * sqrt_t(i) ! mean molecular speed of isopn2
1514 0 : c_isopn1d = 1.20e3_r8 * sqrt_t(i) ! mean molecular speed of isopn1d
1515 0 : c_isopn4d = 1.20e3_r8 * sqrt_t(i) ! mean molecular speed of isopn4d
1516 0 : c_inoohd = 1.14e3_r8 * sqrt_t(i) ! mean molecular speed of inoohd
1517 0 : c_inheb = 1.14e3_r8 * sqrt_t(i) ! mean molecular speed of inheb
1518 0 : c_inhed = 1.14e3_r8 * sqrt_t(i) ! mean molecular speed of inhed
1519 0 : c_macrn = 1.19e3_r8 * sqrt_t(i) ! mean molecular speed of macrn
1520 0 : c_isophfp = 1.19e3_r8 * sqrt_t(i) ! mean molecular speed of isophfp
1521 0 : c_iepox = 1.34e3_r8 * sqrt_t(i) ! mean molecular speed of iepox
1522 0 : c_dhpmpal = 1.24e3_r8 * sqrt_t(i) ! mean molecular speed of dhpmpal
1523 0 : c_iche = 1.35e3_r8 * sqrt_t(i) ! mean molecular speed of iche
1524 0 : c_isopfnc = 1.04e3_r8 * sqrt_t(i) ! mean molecular speed of isopfnc
1525 0 : c_isopfdnc = 9.72e2_r8 * sqrt_t(i) ! mean molecular speed of isopfdnc
1526 0 : c_terpnt = 9.92e2_r8 * sqrt_t(i) ! mean molecular speed of terpnt
1527 0 : c_terpnt1 = 9.92e2_r8 * sqrt_t(i) ! mean molecular speed of terpnt1
1528 0 : c_terpnpt = 9.57e2_r8 * sqrt_t(i) ! mean molecular speed of terpnpt
1529 0 : c_terpnpt1 = 9.57e2_r8 * sqrt_t(i) ! mean molecular speed of terpnpt1
1530 0 : c_terpfdn = 8.48e2_r8 * sqrt_t(i) ! mean molecular speed of terpfdn
1531 0 : c_sqtn = 8.64e2_r8 * sqrt_t(i) ! mean molecular speed of sqtn
1532 0 : c_terphfn = 8.93e2_r8 * sqrt_t(i) ! mean molecular speed of terphfn
1533 0 : c_terpdhdp = 9.47e2_r8 * sqrt_t(i) ! mean molecular speed of terpdhdp
1534 0 : c_terpacid = 1.07e3_r8 * sqrt_t(i) ! mean molecular speed of terpacid
1535 : !-------------------------------------------------------------------------
1536 : ! Heterogeneous reaction rates for uptake of a gas on an aerosol:
1537 : ! rxt = sfc / ( (rad_aer/Dg_gas) + (4/(c_gas*gamma_gas)))
1538 : !-------------------------------------------------------------------------
1539 : !-------------------------------------------------------------------------
1540 : ! ... n2o5 -> 2 hno3 (on sulfate, nh4no3, oc2, soa)
1541 : !-------------------------------------------------------------------------
1542 0 : if( usr_N2O5_aer_ndx > 0 ) then
1543 0 : rxt(i,k,usr_N2O5_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_n2o5, gamma_n2o5 )
1544 : end if
1545 0 : if( usr_XNO2NO3_aer_ndx > 0 ) then
1546 0 : rxt(i,k,usr_XNO2NO3_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_n2o5, gamma_n2o5 )
1547 : end if
1548 0 : if( usr_NO2XNO3_aer_ndx > 0 ) then
1549 0 : rxt(i,k,usr_NO2XNO3_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_n2o5, gamma_n2o5 )
1550 : end if
1551 : !-------------------------------------------------------------------------
1552 : ! ... no3 -> hno3 (on sulfate, nh4no3, oc, soa)
1553 : !-------------------------------------------------------------------------
1554 0 : if( usr_NO3_aer_ndx > 0 ) then
1555 0 : rxt(i,k,usr_NO3_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_no3, gamma_no3 )
1556 : end if
1557 0 : if( usr_XNO3_aer_ndx > 0 ) then
1558 0 : rxt(i,k,usr_XNO3_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_no3, gamma_no3 )
1559 : end if
1560 : !-------------------------------------------------------------------------
1561 : ! ... no2 -> 0.5 * (ho+no+hno3) (on sulfate, nh4no3, oc2, soa)
1562 : !-------------------------------------------------------------------------
1563 0 : if( usr_NO2_aer_ndx > 0 ) then
1564 0 : rxt(i,k,usr_NO2_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_no2, gamma_no2 )
1565 : end if
1566 0 : if( usr_XNO2_aer_ndx > 0 ) then
1567 0 : rxt(i,k,usr_XNO2_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_no2, gamma_no2 )
1568 : end if
1569 :
1570 : !-------------------------------------------------------------------------
1571 : ! ... ho2 -> 0.5 * h2o2 (on sulfate, nh4no3, oc2, soa)
1572 : !-------------------------------------------------------------------------
1573 0 : if( usr_HO2_aer_ndx > 0 ) then
1574 0 : rxt(i,k,usr_HO2_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_ho2, gamma_ho2 )
1575 : end if
1576 : !-------------------------------------------------------------------------
1577 : ! ... glyoxal -> soag1 (on sulfate, nh4no3, oc2, soa)
1578 : ! first order uptake, Fuchs and Sutugin, 1971, dCg = 1/4 * gamma * ! A * |v_mol| * Cg * dt
1579 : !-------------------------------------------------------------------------
1580 0 : if( usr_GLYOXAL_aer_ndx > 0 ) then
1581 0 : rxt(i,k,usr_GLYOXAL_aer_ndx) = hetrxtrate_gly( sfc, c_glyoxal, gamma_glyoxal )
1582 : end if
1583 : !-------------------------------------------------------------------------
1584 : ! ... ISOPNITA -> HNO3 (on sulfate, nh4no3, oc2, soa)
1585 : !-------------------------------------------------------------------------
1586 0 : if( usr_ISOPNITA_aer_ndx > 0 ) then
1587 0 : rxt(i,k,usr_ISOPNITA_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopnita, gamma_isopnita )
1588 : end if
1589 : !-------------------------------------------------------------------------
1590 : ! ... ISOPNITB -> HNO3 (on sulfate, nh4no3, oc2, soa)
1591 : !-------------------------------------------------------------------------
1592 0 : if( usr_ISOPNITB_aer_ndx > 0 ) then
1593 0 : rxt(i,k,usr_ISOPNITB_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopnitb, gamma_isopnitb )
1594 : end if
1595 : !-------------------------------------------------------------------------
1596 : ! ... ONITR -> HNO3 (on sulfate, nh4no3, oc2, soa)
1597 : !-------------------------------------------------------------------------
1598 0 : if( usr_ONITR_aer_ndx > 0 ) then
1599 0 : rxt(i,k,usr_ONITR_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_onitr, gamma_onitr )
1600 : end if
1601 : !-------------------------------------------------------------------------
1602 : ! ... HONITR -> HNO3 (on sulfate, nh4no3, oc2, soa)
1603 : !-------------------------------------------------------------------------
1604 0 : if( usr_HONITR_aer_ndx > 0 ) then
1605 0 : rxt(i,k,usr_HONITR_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_honitr, gamma_honitr )
1606 : end if
1607 : !-------------------------------------------------------------------------
1608 : ! ... TERPNIT -> HNO3 (on sulfate, nh4no3, oc2, soa)
1609 : !-------------------------------------------------------------------------
1610 0 : if( usr_TERPNIT_aer_ndx > 0 ) then
1611 0 : rxt(i,k,usr_TERPNIT_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terpnit, gamma_terpnit )
1612 : end if
1613 : !-------------------------------------------------------------------------
1614 : ! ... NTERPOOH -> HNO3 (on sulfate, nh4no3, oc2, soa)
1615 : !-------------------------------------------------------------------------
1616 0 : if( usr_NTERPOOH_aer_ndx > 0 ) then
1617 0 : rxt(i,k,usr_NTERPOOH_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_nterpooh, gamma_nterpooh )
1618 : end if
1619 : !-------------------------------------------------------------------------
1620 : ! ... NC4CHO -> HNO3 (on sulfate, nh4no3, oc2, soa)
1621 : !-------------------------------------------------------------------------
1622 0 : if( usr_NC4CHO_aer_ndx > 0 ) then
1623 0 : rxt(i,k,usr_NC4CHO_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_nc4cho, gamma_nc4cho )
1624 : end if
1625 : !-------------------------------------------------------------------------
1626 : ! ... NC4CH2OH -> HNO3 (on sulfate, nh4no3, oc2, soa)
1627 : !-------------------------------------------------------------------------
1628 0 : if( usr_NC4CH2OH_aer_ndx > 0 ) then
1629 0 : rxt(i,k,usr_NC4CH2OH_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_nc4ch2oh, gamma_nc4ch2oh )
1630 : end if
1631 : !-------------------------------------------------------------------------
1632 : ! ... ISOPFDN -> HNO3 (on sulfate, nh4no3, oc2, soa)
1633 : !-------------------------------------------------------------------------
1634 0 : if( usr_ISOPFDN_aer_ndx > 0 ) then
1635 0 : rxt(i,k,usr_ISOPFDN_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopfdn, gamma_isopfdn )
1636 : end if
1637 : !-------------------------------------------------------------------------
1638 : ! ... ISOPFNP -> (on sulfate, nh4no3, oc2, soa)
1639 : !-------------------------------------------------------------------------
1640 0 : if( usr_ISOPFNP_aer_ndx > 0 ) then
1641 0 : rxt(i,k,usr_ISOPFNP_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopfnp, gamma_isopfnp )
1642 : end if
1643 : !-------------------------------------------------------------------------
1644 : ! ... ISOPN2B -> HNO3 (on sulfate, nh4no3, oc2, soa)
1645 : !-------------------------------------------------------------------------
1646 0 : if( usr_ISOPN2B_aer_ndx > 0 ) then
1647 0 : rxt(i,k,usr_ISOPN2B_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopn2b, gamma_isopn2b )
1648 : end if
1649 : !-------------------------------------------------------------------------
1650 : ! ... ISOPN1D -> HNO3 (on sulfate, nh4no3, oc2, soa)
1651 : !-------------------------------------------------------------------------
1652 0 : if( usr_ISOPN1D_aer_ndx > 0 ) then
1653 0 : rxt(i,k,usr_ISOPN1D_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopn1d, gamma_isopn1d )
1654 : end if
1655 : !-------------------------------------------------------------------------
1656 : ! ... ISOPN4D -> HNO3 (on sulfate, nh4no3, oc2, soa)
1657 : !-------------------------------------------------------------------------
1658 0 : if( usr_ISOPN4D_aer_ndx > 0 ) then
1659 0 : rxt(i,k,usr_ISOPN4D_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopn4d, gamma_isopn4d )
1660 : end if
1661 : !-------------------------------------------------------------------------
1662 : ! ... INOOHD -> HNO3 (on sulfate, nh4no3, oc2, soa)
1663 : !-------------------------------------------------------------------------
1664 0 : if( usr_INOOHD_aer_ndx > 0 ) then
1665 0 : rxt(i,k,usr_INOOHD_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_inoohd, gamma_inoohd )
1666 : end if
1667 : !-------------------------------------------------------------------------
1668 : ! ... INHEB -> HNO3 (on sulfate, nh4no3, oc2, soa)
1669 : !-------------------------------------------------------------------------
1670 0 : if( usr_INHEB_aer_ndx > 0 ) then
1671 0 : rxt(i,k,usr_INHEB_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_inheb, gamma_inheb )
1672 : end if
1673 : !-------------------------------------------------------------------------
1674 : ! ... INHED -> HNO3 (on sulfate, nh4no3, oc2, soa)
1675 : !-------------------------------------------------------------------------
1676 0 : if( usr_INHED_aer_ndx > 0 ) then
1677 0 : rxt(i,k,usr_INHED_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_inhed, gamma_inhed )
1678 : end if
1679 : !-------------------------------------------------------------------------
1680 : ! ... MACRN -> HNO3 (on sulfate, nh4no3, oc2, soa)
1681 : !-------------------------------------------------------------------------
1682 0 : if( usr_MACRN_aer_ndx > 0 ) then
1683 0 : rxt(i,k,usr_MACRN_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_macrn, gamma_macrn )
1684 : end if
1685 : !-------------------------------------------------------------------------
1686 : ! ... ISOPHFP -> (on sulfate, nh4no3, oc2, soa)
1687 : !-------------------------------------------------------------------------
1688 0 : if( usr_ISOPHFP_aer_ndx > 0 ) then
1689 0 : rxt(i,k,usr_ISOPHFP_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isophfp, gamma_isophfp )
1690 : end if
1691 : !-------------------------------------------------------------------------
1692 : ! ... IEPOX -> (on sulfate, nh4no3, oc2, soa)
1693 : !-------------------------------------------------------------------------
1694 0 : if( usr_IEPOX_aer_ndx > 0 ) then
1695 0 : rxt(i,k,usr_IEPOX_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_iepox, gamma_iepox )
1696 : end if
1697 : !-------------------------------------------------------------------------
1698 : ! ... DHPMPAL -> (on sulfate, nh4no3, oc2, soa)
1699 : !-------------------------------------------------------------------------
1700 0 : if( usr_DHPMPAL_aer_ndx > 0 ) then
1701 0 : rxt(i,k,usr_DHPMPAL_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_dhpmpal, gamma_dhpmpal )
1702 : end if
1703 : !-------------------------------------------------------------------------
1704 : ! ... ICHE -> (on sulfate, nh4no3, oc2, soa)
1705 : !-------------------------------------------------------------------------
1706 0 : if( usr_ICHE_aer_ndx > 0 ) then
1707 0 : rxt(i,k,usr_ICHE_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_iche, gamma_iche )
1708 : end if
1709 : !-------------------------------------------------------------------------
1710 : ! ... ISOPFNC -> (on sulfate, nh4no3, oc2, soa)
1711 : !-------------------------------------------------------------------------
1712 0 : if( usr_ISOPFNC_aer_ndx > 0 ) then
1713 0 : rxt(i,k,usr_ISOPFNC_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopfnc, gamma_isopfnc )
1714 : end if
1715 : !-------------------------------------------------------------------------
1716 : ! ... ISOPFDNC -> (on sulfate, nh4no3, oc2, soa)
1717 : !-------------------------------------------------------------------------
1718 0 : if( usr_ISOPFDNC_aer_ndx > 0 ) then
1719 0 : rxt(i,k,usr_ISOPFDNC_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_isopfdnc, gamma_isopfdnc )
1720 : end if
1721 : !-------------------------------------------------------------------------
1722 : ! ... TERPNT -> HNO3 (on sulfate, nh4no3, oc2, soa)
1723 : !-------------------------------------------------------------------------
1724 0 : if( usr_TERPNT_aer_ndx > 0 ) then
1725 0 : rxt(i,k,usr_TERPNT_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terpnt, gamma_terpnt )
1726 : end if
1727 : !-------------------------------------------------------------------------
1728 : ! ... TERPNT1 -> HNO3 (on sulfate, nh4no3, oc2, soa)
1729 : !-------------------------------------------------------------------------
1730 0 : if( usr_TERPNT1_aer_ndx > 0 ) then
1731 0 : rxt(i,k,usr_TERPNT1_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terpnt1, gamma_terpnt1 )
1732 : end if
1733 : !-------------------------------------------------------------------------
1734 : ! ... TERPNPT -> HNO3 (on sulfate, nh4no3, oc2, soa)
1735 : !-------------------------------------------------------------------------
1736 0 : if( usr_TERPNPT_aer_ndx > 0 ) then
1737 0 : rxt(i,k,usr_TERPNPT_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terpnpt, gamma_terpnpt )
1738 : end if
1739 : !-------------------------------------------------------------------------
1740 : ! ... TERPNPT1 -> HNO3 (on sulfate, nh4no3, oc2, soa)
1741 : !-------------------------------------------------------------------------
1742 0 : if( usr_TERPNPT1_aer_ndx > 0 ) then
1743 0 : rxt(i,k,usr_TERPNPT1_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terpnpt1, gamma_terpnpt1 )
1744 : end if
1745 : !-------------------------------------------------------------------------
1746 : ! ... TERPFDN -> HNO3 (on sulfate, nh4no3, oc2, soa)
1747 : !-------------------------------------------------------------------------
1748 0 : if( usr_TERPFDN_aer_ndx > 0 ) then
1749 0 : rxt(i,k,usr_TERPFDN_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terpfdn, gamma_terpfdn )
1750 : end if
1751 : !-------------------------------------------------------------------------
1752 : ! ... SQTN -> (on sulfate, nh4no3, oc2, soa)
1753 : !-------------------------------------------------------------------------
1754 0 : if( usr_SQTN_aer_ndx > 0 ) then
1755 0 : rxt(i,k,usr_SQTN_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_sqtn, gamma_sqtn )
1756 : end if
1757 : !-------------------------------------------------------------------------
1758 : ! ... TERPHFN -> (on sulfate, nh4no3, oc2, soa)
1759 : !-------------------------------------------------------------------------
1760 0 : if( usr_TERPHFN_aer_ndx > 0 ) then
1761 0 : rxt(i,k,usr_TERPHFN_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terphfn, gamma_terphfn )
1762 : end if
1763 : !-------------------------------------------------------------------------
1764 : ! ... TERPDHDP -> (on sulfate, nh4no3, oc2, soa)
1765 : !-------------------------------------------------------------------------
1766 0 : if( usr_TERPDHDP_aer_ndx > 0 ) then
1767 0 : rxt(i,k,usr_TERPDHDP_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terpdhdp, gamma_terpdhdp )
1768 : end if
1769 : !-------------------------------------------------------------------------
1770 : ! ... TERPACID -> (on sulfate, nh4no3, oc2, soa)
1771 : !-------------------------------------------------------------------------
1772 0 : if( usr_TERPACID_aer_ndx > 0 ) then
1773 0 : rxt(i,k,usr_TERPACID_aer_ndx) = hetrxtrate( sfc, dm_aer, dg, c_terpacid, gamma_terpacid )
1774 : end if
1775 :
1776 : end do long_loop
1777 : end if
1778 :
1779 : ! LLNL super fast chem reaction rates
1780 :
1781 : !-----------------------------------------------------------------------
1782 : ! ... CO + OH --> CO2 + HO2
1783 : !-----------------------------------------------------------------------
1784 0 : if ( usr_oh_co_ndx > 0 ) then
1785 0 : ko(:) = 5.9e-33_r8 * tp(:)**1.4_r8
1786 0 : kinf(:) = 1.1e-12_r8 * (temp(:ncol,k) / 300._r8)**1.3_r8
1787 0 : ko_m(:) = ko(:) * m(:,k)
1788 0 : k0(:) = 1.5e-13_r8 * (temp(:ncol,k) / 300._r8)**0.6_r8
1789 0 : kinf_m(:) = (2.1e+09_r8 * (temp(:ncol,k) / 300._r8)**6.1_r8) / m(:,k)
1790 0 : rxt(:,k,usr_oh_co_ndx) = (ko_m(:)/(1._r8+(ko_m(:)/kinf(:)))) * &
1791 : 0.6_r8**(1._r8/(1._r8+(log10(ko_m(:)/kinf(:)))**2._r8)) + &
1792 : (k0(:)/(1._r8+(k0(:)/kinf_m(:)))) * &
1793 0 : 0.6_r8**(1._r8/(1._r8+(log10(k0(:)/kinf_m(:)))**2._r8))
1794 : endif
1795 : !-----------------------------------------------------------------------
1796 : ! ... NO2 + H2O --> 0.5 HONO + 0.5 HNO3
1797 : !-----------------------------------------------------------------------
1798 0 : if ( het_no2_h2o_ndx > 0 ) then
1799 0 : rxt(:,k,het_no2_h2o_ndx) = 4.0e-24_r8
1800 : endif
1801 : !-----------------------------------------------------------------------
1802 : ! ... DMS + OH --> 0.75 SO2 + 0.25 MSA
1803 : !-----------------------------------------------------------------------
1804 0 : if ( usr_oh_dms_ndx > 0 ) then
1805 0 : o2(:ncol) = invariants(:ncol,k,inv_o2_ndx)
1806 0 : rxt(:,k,usr_oh_dms_ndx) = 2.000e-10_r8 * exp(5820.0_r8 * tinv(:)) / &
1807 0 : ((2.000e29_r8 / o2(:)) + exp(6280.0_r8 * tinv(:)))
1808 : endif
1809 0 : if ( aq_so2_h2o2_ndx > 0 .or. aq_so2_o3_ndx > 0 ) then
1810 0 : lwc(:) = cwat(:ncol,k) * invariants(:ncol,k,inv_m_ndx) * mbar(:ncol,k) /avo !PJC convert kg/kg to g/cm3
1811 : !-----------------------------------------------------------------------
1812 : ! ... SO2 + H2O2 --> S(VI)
1813 : !-----------------------------------------------------------------------
1814 0 : if ( aq_so2_h2o2_ndx > 0 ) then
1815 0 : rxt(:,k,aq_so2_h2o2_ndx) = lwc(:) * 1.0e-03_r8 * avo * &
1816 : K_AQ * &
1817 :
1818 : exp(ER_AQ * ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) * &
1819 : HENRY298_SO2 * &
1820 : K298_SO2_HSO3 * &
1821 : HENRY298_H2O2 * &
1822 : exp(((H298_SO2 + H298_SO2_HSO3 + H298_H2O2) / R_CAL) * &
1823 : ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) * &
1824 : (R_CONC * temp(:ncol,k))**2.0e+00_r8 / &
1825 :
1826 0 : (1.0e+00_r8 + 13.0e+00_r8 * 10.0e+00_r8**(-pH))
1827 : endif
1828 : !-----------------------------------------------------------------------
1829 : ! ... SO2 + O3 --> S(VI)
1830 : !-----------------------------------------------------------------------
1831 0 : if (aq_so2_o3_ndx >0) then
1832 0 : rxt(:,k,aq_so2_o3_ndx) = lwc(:) * 1.0e-03_r8 * avo * &
1833 : HENRY298_SO2 * exp((H298_SO2 / R_CAL) * &
1834 : ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) * &
1835 : (K0_AQ * exp(ER0_AQ * &
1836 : ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) + &
1837 : K298_SO2_HSO3 * exp((H298_SO2_HSO3 / R_CAL) * &
1838 : ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) * &
1839 : (K1_AQ * exp(ER1_AQ * &
1840 : ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) / &
1841 : 10.0e+00_r8**(-pH) + K2_AQ * exp(ER2_AQ * &
1842 : ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) * &
1843 : K298_HSO3_SO3 * exp((H298_HSO3_SO3 / R_CAL) * &
1844 : ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) / &
1845 : (10.0e+00_r8**(-pH))**2.0e+00_r8) ) * &
1846 : HENRY298_O3 * exp((H298_O3 / R_CAL) * &
1847 : ((1.0e+00_r8 / 298.0e+00_r8) - tinv(:))) * &
1848 0 : (R_CONC * temp(:ncol,k))**2.0e+00_r8
1849 : endif
1850 : endif
1851 :
1852 0 : if ( has_d_chem ) then
1853 :
1854 0 : call comp_exp( exp_fac, -600._r8 * tinv, ncol )
1855 0 : rxt(:,k,ean_ndx(1)) = 1.e-31_r8 * tp(:) * exp_fac(:)
1856 : rxt(:,k,ean_ndx(2)) = 9.1e-12_r8 * tp(:)**(-1.46_r8)
1857 : call comp_exp( exp_fac, -193._r8 * tinv, ncol )
1858 : rxt(:,k,ean_ndx(3)) = (4.e-30_r8 * exp_fac(:)) * 0.21_r8
1859 :
1860 : rxt(:,k,rpe_ndx(1)) = 4.2e-6_r8 * tp(:)**0.5_r8
1861 : rxt(:,k,rpe_ndx(2)) = 6.3e-7_r8 * tp(:)**0.5_r8
1862 : rxt(:,k,rpe_ndx(3)) = 2.5e-6_r8 * tp(:)**0.1_r8
1863 : rxt(:,k,rpe_ndx(4)) = 2.48e-6_r8 * tp(:)**0.76_r8
1864 : rxt(:,k,rpe_ndx(5)) = 1.4e-6_r8 * tp(:)**0.4_r8
1865 :
1866 : rxt(:,k,pir_ndx(1)) = 4.e-30_r8 * tp(:)**2.93_r8
1867 : rxt(:,k,pir_ndx(2)) = 4.6e-27_r8 * tp(:)**4._r8
1868 :
1869 : call comp_exp( exp_fac, -15900._r8 * tinv, ncol )
1870 : rxt(:,k,pir_ndx(3)) = (2.5e-2_r8 * tp(:)**5._r8) * exp_fac(:)
1871 : rxt(:,k,pir_ndx(4)) = 2.3e-27_r8 * tp(:)**7.5_r8
1872 :
1873 : call comp_exp( exp_fac, -10272._r8 * tinv, ncol )
1874 : rxt(:,k,pir_ndx(5)) = (2.6e-3_r8 * tp(:)**8.5_r8) * exp_fac(:)
1875 : rxt(:,k,pir_ndx(6)) = 3.6e-27_r8 * tp(:)**8.1_r8
1876 :
1877 : call comp_exp( exp_fac, -9000._r8 * tinv, ncol )
1878 : rxt(:,k,pir_ndx(7)) = (1.5e-1_r8 * tp(:)**9.1_r8) * exp_fac(:)
1879 : rxt(:,k,pir_ndx(8)) = 4.6e-28_r8 * tp(:)**14._r8
1880 :
1881 : call comp_exp( exp_fac, -6400._r8 * tinv, ncol )
1882 : rxt(:,k,pir_ndx(9)) = (1.7e-3_r8 * tp(:)**15._r8) * exp_fac(:)
1883 : rxt(:,k,pir_ndx(10)) = 1.35e-28_r8 * tp(:)**2.83_r8
1884 :
1885 : rxt(:,k,pir_ndx(11)) = 1.e-27_r8 * (308._r8 * tinv(:))**4.7_r8
1886 : rxt(:,k,pir_ndx(12)) = rxt(:,k,pir_ndx(11))
1887 : rxt(:,k,pir_ndx(13)) = 1.4e-29_r8 * tp(:)**4._r8
1888 :
1889 : call comp_exp( exp_fac, -3872._r8 * tinv, ncol )
1890 : rxt(:,k,pir_ndx(14)) = (3.4e-7_r8 * tp(:)**5._r8) * exp_fac(:)
1891 :
1892 : rxt(:,k,pir_ndx(15)) = 3.0e-31_r8 * tp(:)**4.3_r8
1893 : call comp_exp( exp_fac, -2093._r8 * tinv, ncol )
1894 : rxt(:,k,pir_ndx(16)) = (1.5e-8_r8 * tp(:)**4.3_r8) * exp_fac(:)
1895 :
1896 : rxt(:,k,edn_ndx(1)) = 3.1e-10_r8 * tp(:)**0.83_r8
1897 : call comp_exp( exp_fac, -4990._r8 * tinv, ncol )
1898 : rxt(:,k,edn_ndx(2)) = (1.9e-12_r8 * tp(:)**(-1.5_r8)) * exp_fac(:)
1899 :
1900 : rxt(:,k,nir_ndx(1)) = 1.05e-12_r8 * tp(:)**2.15_r8
1901 : rxt(:,k,nir_ndx(2)) = 2.5e-11_r8 * tp(:)**0.79_r8
1902 : rxt(:,k,nir_ndx(3)) = 7.5e-11_r8 * tp(:)**0.79_r8
1903 : rxt(:,k,nir_ndx(4)) = rxt(:,k,nir_ndx(1))
1904 : rxt(:,k,nir_ndx(5)) = 1.3e-11_r8 * tp(:)**1.64_r8
1905 : rxt(:,k,nir_ndx(6)) = 3.3e-11_r8 * tp(:)**2.38_r8
1906 :
1907 : call comp_exp( exp_fac, -7300_r8 * tinv, ncol )
1908 : rxt(:,k,nir_ndx(7)) = (1.0e-3_r8 * tp(:)) * exp_fac(:)
1909 : call comp_exp( exp_fac, -7050_r8 * tinv, ncol )
1910 : rxt(:,k,nir_ndx(8)) = (7.2e-4_r8 * tp(:)) * exp_fac(:)
1911 : call comp_exp( exp_fac, -6800_r8 * tinv, ncol )
1912 : rxt(:,k,nir_ndx(9)) = (6.5e-3_r8 * tp(:)) * exp_fac(:)
1913 : call comp_exp( exp_fac, -7600_r8 * tinv, ncol )
1914 : rxt(:,k,nir_ndx(10)) = (5.7e-4_r8 * tp(:)) * exp_fac(:)
1915 :
1916 : call comp_exp( exp_fac, -7150_r8 * tinv, ncol )
1917 : rxt(:,k,nir_ndx(11)) = (1.5e-2_r8 * tp(:)) * exp_fac(:)
1918 :
1919 : call comp_exp( exp_fac, -13130_r8 * tinv, ncol )
1920 : rxt(:,k,nir_ndx(12)) = (6.0e-3_r8 * tp(:)) * exp_fac(:)
1921 : rxt(:,k,nir_ndx(13)) = 5.22e-28_r8 * tp(:)**2.62_r8
1922 :
1923 : rxt(:,k,iira_ndx(1)) = 6.0e-8_r8 * tp(:)**.5_r8
1924 : do i = 2,niira
1925 : rxt(:,k,iira_ndx(i)) = rxt(:,k,iira_ndx(i-1))
1926 : enddo
1927 :
1928 : rxt(:,k,iirb_ndx(1)) = 1.25e-25_r8 * tp(:)**4._r8
1929 : do i = 2,niirb
1930 : rxt(:,k,iirb_ndx(i)) = rxt(:,k,iirb_ndx(i-1))
1931 : enddo
1932 :
1933 : call comp_exp( exp_fac, -6600._r8 * tinv, ncol )
1934 : rxt(:,k,usr_clm_h2o_m_ndx) = 2.e-8_r8 * exp_fac(:)
1935 :
1936 : call comp_exp( exp_fac, -11926._r8 * tinv, ncol )
1937 : rxt(:,k,usr_clm_hcl_m_ndx) = tinv(:) * exp_fac(:)
1938 :
1939 : endif
1940 : end do level_loop
1941 :
1942 : !-----------------------------------------------------------------
1943 : ! ... the ionic rates
1944 : !-----------------------------------------------------------------
1945 0 : if ( has_ion_rxts ) then
1946 : level_loop2 : do k = 1,pver
1947 0 : tp(:ncol) = (2._r8*tempi(:ncol,k) + temp(:ncol,k)) / ( 3._r8 * t0 )
1948 0 : tp(:) = max( min( tp(:),20._r8 ),1._r8 )
1949 0 : rxt(:,k,ion1_ndx) = 2.82e-11_r8 + tp(:)*(-7.74e-12_r8 + tp(:)*(1.073e-12_r8 &
1950 0 : + tp(:)*(-5.17e-14_r8 + 9.65e-16_r8*tp(:))))
1951 : tp(:ncol) = (.6363_r8*tempi(:ncol,k) + .3637_r8*temp(:ncol,k)) / t0
1952 : tp(:) = max( min( tp(:),trlim2 ),1._r8 )
1953 : rxt(:,k,ion2_ndx) = 1.533e-12_r8 + tp(:)*(-5.92e-13_r8 + tp(:)*8.6e-14_r8)
1954 : tp(:ncol) = 2._r8 * t0 /(tempi(:ncol,k) + temp(:ncol,k))
1955 : where( tp(:ncol) < trlim3 )
1956 : rxt(:,k,ion3_ndx) = 1.4e-10_r8 * tp(:)**.44_r8
1957 : rxt(:,k,ion11_ndx) = 1.e-11_r8 * tp(:)**.23_r8
1958 : elsewhere
1959 : rxt(:,k,ion3_ndx) = 5.2e-11_r8 / tp(:)**.2_r8
1960 : rxt(:,k,ion11_ndx) = 3.6e-12_r8 / tp(:)**.41_r8
1961 : end where
1962 : tp(:ncol) = t0 / tempe(:ncol,k)
1963 : rxt(:,k,elec1_ndx) = 4.e-7_r8 * tp(:)**.85_r8
1964 : rxt(:,k,elec3_ndx) = 1.8e-7_r8 * tp(:)**.39_r8
1965 : where( tp(:ncol) < 4._r8 )
1966 : rxt(:,k,elec2_ndx) = 2.7e-7_r8 * tp(:)**.7_r8
1967 : elsewhere
1968 : rxt(:,k,elec2_ndx) = 1.6e-7_r8 * tp(:)**.55_r8
1969 : end where
1970 : end do level_loop2
1971 : endif
1972 :
1973 : ! quenching of O+(2P) and O+(2D) by e to produce O+
1974 : ! See TABLE 1 of Roble (1995)
1975 : ! drm 2015-07-27
1976 0 : if (elec4_ndx > 0 .and. elec5_ndx > 0 .and. elec6_ndx > 0) then
1977 : do k=1,pver
1978 0 : tp(:ncol) = sqrt(300._r8 / tempe(:ncol,k))
1979 0 : rxt(:,k,elec4_ndx) = 1.5e-7_r8 * tp(:)
1980 : rxt(:,k,elec5_ndx) = 4.0e-8_r8 * tp(:)
1981 : rxt(:,k,elec6_ndx) = 6.6e-8_r8 * tp(:)
1982 : end do
1983 : endif
1984 :
1985 : !-----------------------------------------------------------------
1986 : ! ... tropospheric "aerosol" rate constants
1987 : !-----------------------------------------------------------------
1988 0 : if ( het1_ndx > 0 .AND. (.NOT. usr_N2O5_aer_ndx > 0) ) then
1989 : amas = 4._r8*pi*rm1**3*den/3._r8 ! each mean particle(r=0.1u) mass (g)
1990 : do k = 1,pver
1991 : !-------------------------------------------------------------------------
1992 : ! ... estimate humidity effect on aerosols (from Shettle and Fenn, 1979)
1993 : ! xr is a factor of the increase aerosol radii with hum (hum=0., factor=1)
1994 : !-------------------------------------------------------------------------
1995 0 : xr(:) = .999151_r8 + relhum(:ncol,k)*(1.90445_r8 + relhum(:ncol,k)*(-6.35204_r8 + relhum(:ncol,k)*5.32061_r8))
1996 : !-------------------------------------------------------------------------
1997 : ! ... estimate sulfate particles surface area (cm2/cm3) in each grid
1998 : !-------------------------------------------------------------------------
1999 0 : if ( carma_hetchem_feedback ) then
2000 0 : sur(:ncol) = strato_sad(:ncol,k)
2001 : else
2002 : sur(:) = sulfate(:,k)*m(:,k)/avo*wso4 & ! xform mixing ratio to g/cm3
2003 : / amas & ! xform g/cm3 to num particels/cm3
2004 : * fare & ! xform num particels/cm3 to cm2/cm3
2005 0 : * xr(:)*xr(:) ! humidity factor
2006 : endif
2007 : !-----------------------------------------------------------------
2008 : ! ... compute the "aerosol" reaction rates
2009 : !-----------------------------------------------------------------
2010 : ! k = gam * A * velo/4
2011 : !
2012 : ! where velo = sqrt[ 8*bk*T/pi/(w/av) ]
2013 : ! bk = 1.381e-16
2014 : ! av = 6.02e23
2015 : ! w = 108 (n2o5) HO2(33) CH2O (30) NH3(15)
2016 : !
2017 : ! so that velo = 1.40e3*sqrt(T) (n2o5) gama=0.1
2018 : ! so that velo = 2.53e3*sqrt(T) (HO2) gama>0.2
2019 : ! so that velo = 2.65e3*sqrt(T) (CH2O) gama>0.022
2020 : ! so that velo = 3.75e3*sqrt(T) (NH3) gama=0.4
2021 : !--------------------------------------------------------
2022 : !-----------------------------------------------------------------
2023 : ! ... use this n2o5 -> 2*hno3 only in tropopause
2024 : !-----------------------------------------------------------------
2025 0 : rxt(:,k,het1_ndx) = rxt(:,k,het1_ndx) &
2026 0 : +.25_r8 * gam1 * sur(:) * 1.40e3_r8 * sqrt( temp(:ncol,k) )
2027 : end do
2028 : end if
2029 :
2030 : !lke++
2031 : !-----------------------------------------------------------------
2032 : ! ... CO tags
2033 : !-----------------------------------------------------------------
2034 0 : if( usr_CO_OH_b_ndx > 0 .and. usr_CO_OH_ndx < 0 ) then
2035 0 : usr_CO_OH_ndx = usr_CO_OH_b_ndx
2036 : end if
2037 0 : if( usr_CO_OH_ndx > 0 ) then
2038 0 : if( usr_COhc_OH_ndx > 0 ) then
2039 0 : rxt(:ncol,:,usr_COhc_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2040 : end if
2041 0 : if( usr_COme_OH_ndx > 0 ) then
2042 0 : rxt(:ncol,:,usr_COme_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2043 : end if
2044 0 : if( usr_CO01_OH_ndx > 0 ) then
2045 0 : rxt(:ncol,:,usr_CO01_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2046 : end if
2047 0 : if( usr_CO02_OH_ndx > 0 ) then
2048 0 : rxt(:ncol,:,usr_CO02_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2049 : end if
2050 0 : if( usr_CO03_OH_ndx > 0 ) then
2051 0 : rxt(:ncol,:,usr_CO03_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2052 : end if
2053 0 : if( usr_CO04_OH_ndx > 0 ) then
2054 0 : rxt(:ncol,:,usr_CO04_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2055 : end if
2056 0 : if( usr_CO05_OH_ndx > 0 ) then
2057 0 : rxt(:ncol,:,usr_CO05_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2058 : end if
2059 0 : if( usr_CO06_OH_ndx > 0 ) then
2060 0 : rxt(:ncol,:,usr_CO06_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2061 : end if
2062 0 : if( usr_CO07_OH_ndx > 0 ) then
2063 0 : rxt(:ncol,:,usr_CO07_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2064 : end if
2065 0 : if( usr_CO08_OH_ndx > 0 ) then
2066 0 : rxt(:ncol,:,usr_CO08_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2067 : end if
2068 0 : if( usr_CO09_OH_ndx > 0 ) then
2069 0 : rxt(:ncol,:,usr_CO09_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2070 : end if
2071 0 : if( usr_CO10_OH_ndx > 0 ) then
2072 0 : rxt(:ncol,:,usr_CO10_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2073 : end if
2074 0 : if( usr_CO11_OH_ndx > 0 ) then
2075 0 : rxt(:ncol,:,usr_CO11_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2076 : end if
2077 0 : if( usr_CO12_OH_ndx > 0 ) then
2078 0 : rxt(:ncol,:,usr_CO12_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2079 : end if
2080 0 : if( usr_CO13_OH_ndx > 0 ) then
2081 0 : rxt(:ncol,:,usr_CO13_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2082 : end if
2083 0 : if( usr_CO14_OH_ndx > 0 ) then
2084 0 : rxt(:ncol,:,usr_CO14_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2085 : end if
2086 0 : if( usr_CO15_OH_ndx > 0 ) then
2087 0 : rxt(:ncol,:,usr_CO15_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2088 : end if
2089 0 : if( usr_CO16_OH_ndx > 0 ) then
2090 0 : rxt(:ncol,:,usr_CO16_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2091 : end if
2092 0 : if( usr_CO17_OH_ndx > 0 ) then
2093 0 : rxt(:ncol,:,usr_CO17_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2094 : end if
2095 0 : if( usr_CO18_OH_ndx > 0 ) then
2096 0 : rxt(:ncol,:,usr_CO18_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2097 : end if
2098 0 : if( usr_CO19_OH_ndx > 0 ) then
2099 0 : rxt(:ncol,:,usr_CO19_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2100 : end if
2101 0 : if( usr_CO20_OH_ndx > 0 ) then
2102 0 : rxt(:ncol,:,usr_CO20_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2103 : end if
2104 0 : if( usr_CO21_OH_ndx > 0 ) then
2105 0 : rxt(:ncol,:,usr_CO21_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2106 : end if
2107 0 : if( usr_CO22_OH_ndx > 0 ) then
2108 0 : rxt(:ncol,:,usr_CO22_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2109 : end if
2110 0 : if( usr_CO23_OH_ndx > 0 ) then
2111 0 : rxt(:ncol,:,usr_CO23_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2112 : end if
2113 0 : if( usr_CO24_OH_ndx > 0 ) then
2114 0 : rxt(:ncol,:,usr_CO24_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2115 : end if
2116 0 : if( usr_CO25_OH_ndx > 0 ) then
2117 0 : rxt(:ncol,:,usr_CO25_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2118 : end if
2119 0 : if( usr_CO26_OH_ndx > 0 ) then
2120 0 : rxt(:ncol,:,usr_CO26_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2121 : end if
2122 0 : if( usr_CO27_OH_ndx > 0 ) then
2123 0 : rxt(:ncol,:,usr_CO27_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2124 : end if
2125 0 : if( usr_CO28_OH_ndx > 0 ) then
2126 0 : rxt(:ncol,:,usr_CO28_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2127 : end if
2128 0 : if( usr_CO29_OH_ndx > 0 ) then
2129 0 : rxt(:ncol,:,usr_CO29_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2130 : end if
2131 0 : if( usr_CO30_OH_ndx > 0 ) then
2132 0 : rxt(:ncol,:,usr_CO30_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2133 : end if
2134 0 : if( usr_CO31_OH_ndx > 0 ) then
2135 0 : rxt(:ncol,:,usr_CO31_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2136 : end if
2137 0 : if( usr_CO32_OH_ndx > 0 ) then
2138 0 : rxt(:ncol,:,usr_CO32_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2139 : end if
2140 0 : if( usr_CO33_OH_ndx > 0 ) then
2141 0 : rxt(:ncol,:,usr_CO33_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2142 : end if
2143 0 : if( usr_CO34_OH_ndx > 0 ) then
2144 0 : rxt(:ncol,:,usr_CO34_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2145 : end if
2146 0 : if( usr_CO35_OH_ndx > 0 ) then
2147 0 : rxt(:ncol,:,usr_CO35_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2148 : end if
2149 0 : if( usr_CO36_OH_ndx > 0 ) then
2150 0 : rxt(:ncol,:,usr_CO36_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2151 : end if
2152 0 : if( usr_CO37_OH_ndx > 0 ) then
2153 0 : rxt(:ncol,:,usr_CO37_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2154 : end if
2155 0 : if( usr_CO38_OH_ndx > 0 ) then
2156 0 : rxt(:ncol,:,usr_CO38_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2157 : end if
2158 0 : if( usr_CO39_OH_ndx > 0 ) then
2159 0 : rxt(:ncol,:,usr_CO39_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2160 : end if
2161 0 : if( usr_CO40_OH_ndx > 0 ) then
2162 0 : rxt(:ncol,:,usr_CO40_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2163 : end if
2164 0 : if( usr_CO41_OH_ndx > 0 ) then
2165 0 : rxt(:ncol,:,usr_CO41_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2166 : end if
2167 0 : if( usr_CO42_OH_ndx > 0 ) then
2168 0 : rxt(:ncol,:,usr_CO42_OH_ndx) = rxt(:ncol,:,usr_CO_OH_ndx)
2169 : end if
2170 : end if
2171 : !lke--
2172 : !
2173 : ! jfl : additional BAM removal reactions. Zero out below the tropopause
2174 : !
2175 0 : do l=1,num_strat_tau
2176 : !
2177 0 : if ( usr_strat_tau_ndx(l) > 0 ) then
2178 0 : do i=1,ncol
2179 0 : rxt(i,tropchemlev(i)+1:pver,usr_strat_tau_ndx(l)) = 0._r8
2180 : end do
2181 : end if
2182 : !
2183 : end do
2184 : !
2185 :
2186 0 : deallocate( sfc_array, dm_array )
2187 :
2188 0 : end subroutine usrrxt
2189 :
2190 0 : subroutine usrrxt_hrates( rxt, tempn, tempi, tempe, &
2191 0 : h2ovmr, m, ncol, kbot )
2192 : !-----------------------------------------------------------------
2193 : ! ... set the user specified reaction rates for heating
2194 : !-----------------------------------------------------------------
2195 :
2196 0 : use shr_kind_mod, only : r8 => shr_kind_r8
2197 : use chem_mods, only : rxntot
2198 : use ppgrid, only : pver, pcols
2199 :
2200 : implicit none
2201 :
2202 : !-----------------------------------------------------------------
2203 : ! ... dummy arguments
2204 : !-----------------------------------------------------------------
2205 : integer, intent(in) :: ncol ! number columns in chunk
2206 : integer, intent(in) :: kbot ! heating levels
2207 : real(r8), intent(in) :: tempn(pcols,pver) ! neutral temperature (K)
2208 : real(r8), intent(in) :: tempi(pcols,pver) ! ion temperature (K)
2209 : real(r8), intent(in) :: tempe(pcols,pver) ! electron temperature (K)
2210 : real(r8), intent(in) :: m(ncol,pver) ! total atm density (1/cm^3)
2211 : real(r8), intent(in) :: h2ovmr(ncol,pver) ! water vapor (vmr)
2212 : real(r8), intent(inout) :: rxt(ncol,pver,rxntot) ! gas phase rates
2213 :
2214 : !-----------------------------------------------------------------
2215 : ! ... local variables
2216 : !-----------------------------------------------------------------
2217 :
2218 : integer :: k
2219 : real(r8), dimension(ncol) :: &
2220 0 : tp, &
2221 0 : tinv, &
2222 0 : ko, &
2223 0 : kinf, &
2224 0 : fc
2225 :
2226 : !-----------------------------------------------------------------
2227 : ! ... o + o2 + m --> o3 + m
2228 : !-----------------------------------------------------------------
2229 0 : do k = 1,kbot
2230 0 : tinv(:ncol) = 1._r8 / tempn(:ncol,k)
2231 0 : tp(:) = 300._r8 * tinv(:)
2232 0 : rxt(:,k,usr_O_O2_ndx) = 6.e-34_r8 * tp(:)**2.4_r8
2233 :
2234 : !-----------------------------------------------------------------
2235 : ! ... o + o + m -> o2 + m
2236 : !-----------------------------------------------------------------
2237 : rxt(:,k,usr_O_O_ndx) = 2.76e-34_r8 * exp( 720.0_r8*tinv(:) )
2238 :
2239 : !-----------------------------------------------------------------
2240 : ! ... ho2 + ho2 --> h2o2
2241 : ! Note: this rate involves the water vapor number density
2242 : !-----------------------------------------------------------------
2243 : ko(:) = 3.0e-13_r8 * exp( 460._r8*tinv(:) )
2244 : kinf(:) = 2.1e-33_r8 * m(:,k) * exp( 920._r8*tinv(:) )
2245 : fc(:) = 1._r8 + 1.4e-21_r8 * m(:,k) * h2ovmr(:,k) * exp( 2200._r8*tinv(:) )
2246 0 : rxt(:,k,usr_HO2_HO2_ndx) = (ko(:) + kinf(:)) * fc(:)
2247 :
2248 : end do
2249 :
2250 : !-----------------------------------------------------------------
2251 : ! ... the ionic rates
2252 : !-----------------------------------------------------------------
2253 : if ( has_ion_rxts ) then
2254 : level_loop2 : do k = 1,kbot
2255 : tp(:ncol) = (2._r8*tempi(:ncol,k) + tempn(:ncol,k)) / ( 3._r8 * t0 )
2256 : tp(:) = max( min( tp(:),20._r8 ),1._r8 )
2257 : rxt(:,k,ion1_ndx) = 2.82e-11_r8 + tp(:)*(-7.74e-12_r8 + tp(:)*(1.073e-12_r8 &
2258 : + tp(:)*(-5.17e-14_r8 + 9.65e-16_r8*tp(:))))
2259 : tp(:ncol) = (.6363_r8*tempi(:ncol,k) + .3637_r8*tempn(:ncol,k)) / t0
2260 : tp(:) = max( min( tp(:),trlim2 ),1._r8 )
2261 : rxt(:,k,ion2_ndx) = 1.533e-12_r8 + tp(:)*(-5.92e-13_r8 + tp(:)*8.6e-14_r8)
2262 : tp(:ncol) = 2._r8 * t0 /(tempi(:ncol,k) + tempn(:ncol,k))
2263 : where( tp(:ncol) < trlim3 )
2264 : rxt(:,k,ion3_ndx) = 1.4e-10_r8 * tp(:)**.44_r8
2265 : elsewhere
2266 : rxt(:,k,ion3_ndx) = 5.2e-11_r8 / tp(:)**.2_r8
2267 : endwhere
2268 : tp(:ncol) = t0 / tempe(:ncol,k)
2269 : rxt(:,k,elec1_ndx) = 4.e-7_r8 * tp(:)**.85_r8
2270 : rxt(:,k,elec3_ndx) = 1.8e-7_r8 * tp(:)**.39_r8
2271 : where( tp(:ncol) < 4._r8 )
2272 : rxt(:,k,elec2_ndx) = 2.7e-7_r8 * tp(:)**.7_r8
2273 : elsewhere
2274 : rxt(:,k,elec2_ndx) = 1.6e-7_r8 * tp(:)**.55_r8
2275 : endwhere
2276 : end do level_loop2
2277 : endif
2278 0 : end subroutine usrrxt_hrates
2279 :
2280 : !-------------------------------------------------------------------------
2281 : !-------------------------------------------------------------------------
2282 0 : subroutine comp_exp( x, y, n )
2283 :
2284 : implicit none
2285 :
2286 : real(r8), intent(out) :: x(:)
2287 : real(r8), intent(in) :: y(:)
2288 : integer, intent(in) :: n
2289 :
2290 : #ifdef IBM
2291 : call vexp( x, y, n )
2292 : #else
2293 0 : x(:n) = exp( y(:n) )
2294 : #endif
2295 :
2296 0 : end subroutine comp_exp
2297 :
2298 : !-------------------------------------------------------------------------
2299 : ! Heterogeneous reaction rates for uptake of a gas on an aerosol:
2300 : !-------------------------------------------------------------------------
2301 : function hetrxtrate( sfc, dm_aer, dg_gas, c_gas, gamma_gas ) result(rate)
2302 :
2303 : real(r8), intent(in) :: sfc(:)
2304 : real(r8), intent(in) :: dm_aer(:)
2305 : real(r8), intent(in) :: dg_gas
2306 : real(r8), intent(in) :: c_gas
2307 : real(r8), intent(in) :: gamma_gas
2308 : real(r8) :: rate
2309 :
2310 : real(r8),allocatable :: rxt(:)
2311 : integer :: n, i
2312 :
2313 : n = size(sfc)
2314 :
2315 : allocate(rxt(n))
2316 : do i=1,n
2317 : rxt(i) = sfc(i) / (0.5_r8*dm_aer(i)/dg_gas + (4._r8/(c_gas*gamma_gas)))
2318 : enddo
2319 :
2320 : rate = sum(rxt)
2321 :
2322 : deallocate(rxt)
2323 :
2324 : endfunction hetrxtrate
2325 :
2326 : !-------------------------------------------------------------------------
2327 : ! Heterogeneous reaction rates for uptake of a glyoxal gas on an aerosol:
2328 : !-------------------------------------------------------------------------
2329 : function hetrxtrate_gly( sfc, c_gas, gamma_gas ) result(rate)
2330 :
2331 : real(r8), intent(in) :: sfc(:)
2332 : real(r8), intent(in) :: c_gas
2333 : real(r8), intent(in) :: gamma_gas
2334 : real(r8) :: rate
2335 :
2336 : real(r8),allocatable :: rxt(:)
2337 : integer :: n, i
2338 :
2339 : n = size(sfc)
2340 :
2341 : allocate(rxt(n))
2342 : do i=1,n
2343 : rxt(i) = 0.25_r8 * c_gas * sfc(i) * gamma_gas
2344 : enddo
2345 :
2346 : rate = sum(rxt)
2347 :
2348 : deallocate(rxt)
2349 :
2350 : endfunction hetrxtrate_gly
2351 :
2352 :
2353 : end module mo_usrrxt
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