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calchim_mod.F90 @ 2213

Last change on this file since 2213 was 2213, checked in by emillour, 5 years ago
Mars GCM: Bug fix in calchim (only had an impact when computations include the ionosphere), parameters should not be reset at every call. EM
File size: 28.6 KB

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1	MODULE calchim_mod
2
3	IMPLICIT NONE
4
5	INTEGER, SAVE :: ichemistry ! compute chemistry every ichemistry physics step
6	REAL,SAVE,ALLOCATABLE :: zdqchim(:,:,:) ! Tendancy on pq due to photochemistry
7	REAL,SAVE,ALLOCATABLE :: zdqschim(:,:) ! Tendancy on qsurf due to photochemistry
8
9	CONTAINS
10
11	subroutine calchim(ngrid,nlayer,nq, &
12	ptimestep,pplay,pplev,pt,pdt,dist_sol,mu0, &
13	zzlev,zzlay,zday,pq,pdq,dqchim,dqschim,dqcloud, &
14	dqscloud,tau,co2ice, &
15	pu,pdu,pv,pdv,surfdust,surfice)
16
17	use tracer_mod, only: igcm_co2, igcm_co, igcm_o, igcm_o1d, igcm_o2, &
18	igcm_o3, igcm_h, igcm_h2, igcm_oh, igcm_ho2, &
19	igcm_h2o2, igcm_ch4, igcm_n2, igcm_h2o_vap, &
20	igcm_no, igcm_n, igcm_no2, igcm_n2d, &
21	igcm_o2plus, igcm_co2plus, igcm_oplus, &
22	igcm_coplus, igcm_cplus, igcm_nplus, &
23	igcm_noplus, igcm_n2plus, igcm_hplus, &
24	igcm_hco2plus, igcm_elec, mmol
25
26	use conc_mod, only: mmean ! mean molecular mass of the atmosphere
27	use comcstfi_h, only: pi
28	use photolysis_mod, only: init_photolysis, nphot
29	use iono_h, only: temp_elect
30
31	implicit none
32
33	!=======================================================================
34	!
35	! subject:
36	! --------
37	!
38	! Prepare the call for the photochemical module, and send back the
39	! tendencies from photochemistry in the chemical species mass mixing ratios
40	!
41	! Arguments:
42	! ----------
43	!
44	! Input:
45	!
46	! ptimestep timestep (s)
47	! pplay(ngrid,nlayer) Pressure at the middle of the layers (Pa)
48	! pplev(ngrid,nlayer+1) Intermediate pressure levels (Pa)
49	! pt(ngrid,nlayer) Temperature (K)
50	! pdt(ngrid,nlayer) Temperature tendency (K)
51	! pu(ngrid,nlayer) u component of the wind (ms-1)
52	! pdu(ngrid,nlayer) u component tendency (K)
53	! pv(ngrid,nlayer) v component of the wind (ms-1)
54	! pdv(ngrid,nlayer) v component tendency (K)
55	! dist_sol distance of the sun (AU)
56	! mu0(ngrid) cos of solar zenith angle (=1 when sun at zenith)
57	! pq(ngrid,nlayer,nq) advected fields, ie chemical species here
58	! pdq(ngrid,nlayer,nq) previous tendencies on pq
59	! tau(ngrid) dust optical depth
60	! co2ice(ngrid) co2 ice surface layer (kg.m-2)
61	! surfdust(ngrid,nlayer) dust surface area (m2/m3)
62	! surfice(ngrid,nlayer) ice surface area (m2/m3)
63	!
64	! Output:
65	!
66	! dqchim(ngrid,nlayer,nq) tendencies on pq due to chemistry
67	! dqschim(ngrid,nq) tendencies on qsurf
68	!
69	!=======================================================================
70
71	include "callkeys.h"
72
73	! input:
74
75	integer,intent(in) :: ngrid ! number of atmospheric columns
76	integer,intent(in) :: nlayer ! number of atmospheric layers
77	integer,intent(in) :: nq ! number of tracers
78	real :: ptimestep
79	real :: pplay(ngrid,nlayer) ! pressure at the middle of the layers
80	real :: zzlay(ngrid,nlayer) ! pressure at the middle of the layers
81	real :: pplev(ngrid,nlayer+1) ! intermediate pressure levels
82	real :: zzlev(ngrid,nlayer+1) ! altitude at layer boundaries
83	real :: pt(ngrid,nlayer) ! temperature
84	real :: pdt(ngrid,nlayer) ! temperature tendency
85	real :: pu(ngrid,nlayer) ! u component of the wind (m.s-1)
86	real :: pdu(ngrid,nlayer) ! u component tendency
87	real :: pv(ngrid,nlayer) ! v component of the wind (m.s-1)
88	real :: pdv(ngrid,nlayer) ! v component tendency
89	real :: dist_sol ! distance of the sun (AU)
90	real :: mu0(ngrid) ! cos of solar zenith angle (=1 when sun at zenith)
91	real :: pq(ngrid,nlayer,nq) ! tracers mass mixing ratio
92	real :: pdq(ngrid,nlayer,nq) ! previous tendencies
93	real :: zday ! date (time since Ls=0, in martian days)
94	real :: tau(ngrid) ! dust optical depth
95	real :: co2ice(ngrid) ! co2 ice surface layer (kg.m-2)
96	real :: surfdust(ngrid,nlayer) ! dust surface area (m2/m3)
97	real :: surfice(ngrid,nlayer) ! ice surface area (m2/m3)
98
99	! output:
100
101	real :: dqchim(ngrid,nlayer,nq) ! tendencies on pq due to chemistry
102	real :: dqschim(ngrid,nq) ! tendencies on qsurf
103	real :: dqcloud(ngrid,nlayer,nq) ! tendencies on pq due to condensation
104	real :: dqscloud(ngrid,nq) ! tendencies on qsurf
105
106	! local variables:
107
108	integer,save :: nbq ! number of tracers used in the chemistry
109	integer,allocatable,save :: niq(:) ! array storing the indexes of the tracers
110	integer :: iloc(1) ! index of major species
111	integer :: ig,l,i,iq,iqmax
112	integer :: foundswitch, lswitch
113	integer,save :: chemthermod
114
115	integer,save :: i_co2 = 0
116	integer,save :: i_co = 0
117	integer,save :: i_o = 0
118	integer,save :: i_o1d = 0
119	integer,save :: i_o2 = 0
120	integer,save :: i_o3 = 0
121	integer,save :: i_h = 0
122	integer,save :: i_h2 = 0
123	integer,save :: i_oh = 0
124	integer,save :: i_ho2 = 0
125	integer,save :: i_h2o2 = 0
126	integer,save :: i_ch4 = 0
127	integer,save :: i_n2 = 0
128	integer,save :: i_h2o = 0
129	integer,save :: i_n = 0
130	integer,save :: i_no = 0
131	integer,save :: i_no2 = 0
132	integer,save :: i_n2d = 0
133	integer,save :: i_co2plus=0
134	integer,save :: i_oplus=0
135	integer,save :: i_o2plus=0
136	integer,save :: i_coplus=0
137	integer,save :: i_cplus=0
138	integer,save :: i_nplus=0
139	integer,save :: i_noplus=0
140	integer,save :: i_n2plus=0
141	integer,save :: i_hplus=0
142	integer,save :: i_hco2plus=0
143	integer,save :: i_elec=0
144
145	integer :: ig_vl1
146
147	integer :: nb_reaction_3_max ! number of quadratic reactions
148	integer :: nb_reaction_4_max ! number of bimolecular reactions
149	integer :: nquench ! number of quenching + heterogeneous reactions
150	integer :: nphotion ! number of photoionizations
151	integer :: nb_phot_max ! total number of photolysis+photoionizations+quenching reactions
152
153
154	real :: latvl1, lonvl1
155	real :: zq(ngrid,nlayer,nq) ! pq+pdq*ptimestep before chemistry
156	! new mole fraction after
157	real :: zt(ngrid,nlayer) ! temperature
158	real :: zu(ngrid,nlayer) ! u component of the wind
159	real :: zv(ngrid,nlayer) ! v component of the wind
160	real :: taucol ! dust optical depth at the surface
161	real :: kb ! boltzmann constant
162
163	logical, save :: firstcall = .true.
164	logical, save :: depos ! switch for dry deposition
165	logical, save :: ionchem ! switch for ionospheric chemistry
166	logical, save :: jonline ! switch for online photodissociation rates or lookup table
167	logical, save :: unichim ! only one unified chemical scheme at all
168	! layers (default), or upper atmospheric
169	! scheme in the thermosphere
170
171	! for each column of atmosphere:
172
173	real :: zpress(nlayer) ! Pressure (mbar)
174	real :: zdens(nlayer) ! Density (cm-3)
175	real :: ztemp(nlayer) ! Temperature (K)
176	real :: ztelec(nlayer) ! Electronic temperature (K)
177	real :: zlocal(nlayer) ! Altitude (km)
178	real :: zycol(nlayer,nq) ! Composition (mole fractions)
179	real :: zmmean(nlayer) ! Mean molecular mass (g.mole-1)
180	real :: szacol ! Solar zenith angle
181	real :: surfice1d(nlayer) ! Ice surface area (cm2/cm3)
182	real :: surfdust1d(nlayer) ! Dust surface area (cm2/cm3)
183	real :: jo3(nlayer) ! Photodissociation rate O3->O1D (s-1)
184	real :: jh2o(nlayer) ! Photodissociation rate H2O->H+OH (s-1)
185	real :: em_no(nlayer) ! NO nightglow emission rate
186	real :: em_o2(nlayer) ! O2 nightglow emission rate
187
188	integer :: iter(nlayer) ! Number of chemical iterations
189	! within one physical timestep
190
191	! for output:
192
193	logical,save :: output ! to issue calls to writediagfi and stats
194	real :: jo3_3d(ngrid,nlayer) ! Photodissociation rate O3->O1D (s-1)
195	real :: jh2o_3d(ngrid,nlayer) ! Photodissociation rate H2O->H+OH (s-1)
196	real :: emission_no(ngrid,nlayer) !NO emission rate
197	real :: emission_o2(ngrid,nlayer) !O2 emission rate
198	real :: iter_3d(ngrid,nlayer) ! Number of chemical iterations
199	! within one physical timestep
200
201	!=======================================================================
202	! initialization of the chemistry (first call only)
203	!=======================================================================
204
205	if (firstcall) then
206
207	!=======================================================================
208	! main dashboard for the chemistry
209	!=======================================================================
210
211	unichim = .true. ! true : unified chemistry ! false : separate models in lower and upper atmosphere
212	jonline = .true. ! true : on-line calculation of photodissociation rates ! false : lookup table
213	ionchem = .false. ! switch for ionospheric chemistry
214	depos = .false. ! switch for dry deposition
215	output = .false. ! true : triggers writing of specific outputs (photolysis rates, emission rates, etc)
216
217	if (photochem) then
218	if (jonline) then
219	print*,'calchim: Read UV absorption cross-sections'
220	call init_photolysis ! on-line photolysis
221	else
222	print*,'calchim: Read photolysis lookup table'
223	call read_phototable ! off-line photolysis
224	end if
225	end if
226
227	if(.not.unichim) then
228	!Read reaction rates from external file if the upper atmospheric
229	!chemistry is called
230	call chemthermos_readini
231	endif
232
233	! find index of chemical tracers to use
234	allocate(niq(nq))
235	! Listed here are all tracers that can go into photochemistry
236	nbq = 0 ! to count number of tracers
237	! Species ALWAYS present if photochem=.T.
238	i_co2 = igcm_co2
239	if (i_co2 == 0) then
240	write(,) "calchim: Error; no CO2 tracer !!!"
241	stop
242	else
243	nbq = nbq + 1
244	niq(nbq) = i_co2
245	end if
246	i_co = igcm_co
247	if (i_co == 0) then
248	write(,) "calchim: Error; no CO tracer !!!"
249	stop
250	else
251	nbq = nbq + 1
252	niq(nbq) = i_co
253	end if
254	i_o = igcm_o
255	if (i_o == 0) then
256	write(,) "calchim: Error; no O tracer !!!"
257	stop
258	else
259	nbq = nbq + 1
260	niq(nbq) = i_o
261	end if
262	i_o1d = igcm_o1d
263	if (i_o1d == 0) then
264	write(,) "calchim: Error; no O1D tracer !!!"
265	stop
266	else
267	nbq = nbq + 1
268	niq(nbq) = i_o1d
269	end if
270	i_o2 = igcm_o2
271	if (i_o2 == 0) then
272	write(,) "calchim: Error; no O2 tracer !!!"
273	stop
274	else
275	nbq = nbq + 1
276	niq(nbq) = i_o2
277	end if
278	i_o3 = igcm_o3
279	if (i_o3 == 0) then
280	write(,) "calchim: Error; no O3 tracer !!!"
281	stop
282	else
283	nbq = nbq + 1
284	niq(nbq) = i_o3
285	end if
286	i_h = igcm_h
287	if (i_h == 0) then
288	write(,) "calchim: Error; no H tracer !!!"
289	stop
290	else
291	nbq = nbq + 1
292	niq(nbq) = i_h
293	end if
294	i_h2 = igcm_h2
295	if (i_h2 == 0) then
296	write(,) "calchim: Error; no H2 tracer !!!"
297	stop
298	else
299	nbq = nbq + 1
300	niq(nbq) = i_h2
301	end if
302	i_oh = igcm_oh
303	if (i_oh == 0) then
304	write(,) "calchim: Error; no OH tracer !!!"
305	stop
306	else
307	nbq = nbq + 1
308	niq(nbq) = i_oh
309	end if
310	i_ho2 = igcm_ho2
311	if (i_ho2 == 0) then
312	write(,) "calchim: Error; no HO2 tracer !!!"
313	stop
314	else
315	nbq = nbq + 1
316	niq(nbq) = i_ho2
317	end if
318	i_h2o2 = igcm_h2o2
319	if (i_h2o2 == 0) then
320	write(,) "calchim: Error; no H2O2 tracer !!!"
321	stop
322	else
323	nbq = nbq + 1
324	niq(nbq) = i_h2o2
325	end if
326	i_ch4 = igcm_ch4
327	if (i_ch4 == 0) then
328	write(,) "calchim: Error; no CH4 tracer !!!"
329	write(,) "CH4 will be ignored in the chemistry"
330	else
331	nbq = nbq + 1
332	niq(nbq) = i_ch4
333	end if
334	i_n2 = igcm_n2
335	if (i_n2 == 0) then
336	write(,) "calchim: Error; no N2 tracer !!!"
337	stop
338	else
339	nbq = nbq + 1
340	niq(nbq) = i_n2
341	end if
342	i_n = igcm_n
343	if (i_n == 0) then
344	if (photochem) then
345	write(,) "calchim: Error; no N tracer !!!"
346	stop
347	end if
348	else
349	nbq = nbq + 1
350	niq(nbq) = i_n
351	end if
352	i_n2d = igcm_n2d
353	if (i_n2d == 0) then
354	if (photochem) then
355	write(,) "calchim: Error; no N2D tracer !!!"
356	stop
357	end if
358	else
359	nbq = nbq + 1
360	niq(nbq) = i_n2d
361	end if
362	i_no = igcm_no
363	if (i_no == 0) then
364	if (photochem) then
365	write(,) "calchim: Error; no NO tracer !!!"
366	stop
367	end if
368	else
369	nbq = nbq + 1
370	niq(nbq) = i_no
371	end if
372	i_no2 = igcm_no2
373	if (i_no2 == 0) then
374	if (photochem) then
375	write(,) "calchim: Error; no NO2 tracer !!!"
376	stop
377	end if
378	else
379	nbq = nbq + 1
380	niq(nbq) = i_no2
381	end if
382	i_h2o = igcm_h2o_vap
383	if (i_h2o == 0) then
384	write(,) "calchim: Error; no water vapor tracer !!!"
385	stop
386	else
387	nbq = nbq + 1
388	niq(nbq) = i_h2o
389	end if
390	i_o2plus = igcm_o2plus
391	if (i_o2plus == 0) then
392	write(,) "calchim: no O2+ tracer "
393	write(,) "Only neutral chemistry"
394	else
395	nbq = nbq + 1
396	niq(nbq) = i_o2plus
397	ionchem = .true.
398	write(,) "calchim: O2+ tracer found in traceur.def"
399	write(,) "Ion chemistry included"
400	end if
401	i_co2plus = igcm_co2plus
402	if(ionchem) then
403	if (i_co2plus == 0) then
404	write(,) "calchim: Error, no CO2+ tracer !!!"
405	write(,) "CO2+ is needed if O2+ is in traceur.def"
406	stop
407	else
408	nbq = nbq + 1
409	niq(nbq) = i_co2plus
410	end if
411	else
412	if (i_co2plus /= 0) then
413	write(,) "calchim: Error: CO2+ is present, but O2+ is not!!!"
414	write(,) "Both must be in traceur.def if ion chemistry wanted"
415	stop
416	endif
417	endif
418	i_oplus=igcm_oplus
419	if(ionchem) then
420	if (i_oplus == 0) then
421	write(,) "calchim: Error, no O+ tracer !!!"
422	write(,) "O+ is needed if O2+ is in traceur.def"
423	stop
424	else
425	nbq = nbq + 1
426	niq(nbq) = i_oplus
427	end if
428	else
429	if (i_oplus /= 0) then
430	write(,) "calchim: Error: O+ is present, but O2+ is not!!!"
431	write(,) "Both must be in traceur.def if ion chemistry wanted"
432	stop
433	endif
434	endif
435	i_noplus=igcm_noplus
436	if(ionchem) then
437	if (i_noplus == 0) then
438	write(,) "calchim: Error, no NO+ tracer !!!"
439	write(,) "NO+ is needed if O2+ is in traceur.def"
440	stop
441	else
442	nbq = nbq + 1
443	niq(nbq) = i_noplus
444	end if
445	else
446	if (i_noplus /= 0) then
447	write(,) "calchim: Error: NO+ is present, but O2+ is not!!!"
448	write(,) "Both must be in traceur.def if ion chemistry wanted"
449	endif
450	endif
451	i_coplus=igcm_coplus
452	if(ionchem) then
453	if (i_coplus == 0) then
454	write(,) "calchim: Error, no CO+ tracer !!!"
455	write(,) "CO+ is needed if O2+ is in traceur.def"
456	stop
457	else
458	nbq = nbq + 1
459	niq(nbq) = i_coplus
460	end if
461	else
462	if (i_coplus /= 0) then
463	write(,) "calchim: Error: CO+ is present, but O2+ is not!!!"
464	write(,) "Both must be in traceur.def if ion chemistry wanted"
465	endif
466	endif
467	i_cplus=igcm_cplus
468	if(ionchem) then
469	if (i_cplus == 0) then
470	write(,) "calchim: Error, no C+ tracer !!!"
471	write(,) "C+ is needed if O2+ is in traceur.def"
472	stop
473	else
474	nbq = nbq + 1
475	niq(nbq) = i_cplus
476	end if
477	else
478	if (i_cplus /= 0) then
479	write(,) "calchim: Error: C+ is present, but O2+ is not!!!"
480	write(,) "Both must be in traceur.def if ion chemistry wanted"
481	endif
482	endif
483	i_n2plus=igcm_n2plus
484	if(ionchem) then
485	if (i_n2plus == 0) then
486	write(,) "calchim: Error, no N2+ tracer !!!"
487	write(,) "N2+ is needed if O2+ is in traceur.def"
488	stop
489	else
490	nbq = nbq + 1
491	niq(nbq) = i_n2plus
492	end if
493	else
494	if (i_n2plus /= 0) then
495	write(,) "calchim: Error: N2+ is present, but O2+ is not!!!"
496	write(,) "Both must be in traceur.def if ion chemistry wanted"
497	endif
498	endif
499	i_nplus=igcm_nplus
500	if(ionchem) then
501	if (i_nplus == 0) then
502	write(,) "calchim: Error, no N+ tracer !!!"
503	write(,) "N+ is needed if O2+ is in traceur.def"
504	stop
505	else
506	nbq = nbq + 1
507	niq(nbq) = i_nplus
508	end if
509	else
510	if (i_nplus /= 0) then
511	write(,) "calchim: Error: N+ is present, but O2+ is not!!!"
512	write(,) "Both must be in traceur.def if ion chemistry wanted"
513	endif
514	endif
515	i_hplus=igcm_hplus
516	if(ionchem) then
517	if (i_hplus == 0) then
518	write(,) "calchim: Error, no H+ tracer !!!"
519	write(,) "H+ is needed if O2+ is in traceur.def"
520	stop
521	else
522	nbq = nbq + 1
523	niq(nbq) = i_hplus
524	end if
525	else
526	if (i_hplus /= 0) then
527	write(,) "calchim: Error: H+ is present, but O2+ is not!!!"
528	write(,) "Both must be in traceur.def if ion chemistry wanted"
529	endif
530	endif
531	i_hco2plus=igcm_hco2plus
532	if(ionchem) then
533	if (i_hco2plus == 0) then
534	write(,) "calchim: Error, no HCO2+ tracer !!!"
535	write(,) "HCO2+ is needed if O2+ is in traceur.def"
536	stop
537	else
538	nbq = nbq + 1
539	niq(nbq) = i_hco2plus
540	end if
541	else
542	if (i_hco2plus /= 0) then
543	write(,) "calchim: Error: HCO2+ is present, but O2+ is not!!!"
544	write(,) "Both must be in traceur.def if ion chemistry wanted"
545	endif
546	endif
547	i_elec = igcm_elec
548	if(ionchem) then
549	if (i_elec == 0) then
550	write(,) "calchim: Error, no e- tracer !!!"
551	write(,) "e- is needed if O2+ is in traceur.def"
552	stop
553	else
554	nbq = nbq + 1
555	niq(nbq) = i_elec
556	end if
557	else
558	if (i_elec /= 0) then
559	write(,) "calchim: Error: e- is present, but O2+ is not!!!"
560	write(,) "Both must be in traceur.def if ion chemistry wanted"
561	endif
562	endif
563	write(,) 'calchim: found nbq = ',nbq,' tracers'
564
565	firstcall = .false.
566	end if ! if (firstcall)
567
568	! Initializations
569
570	zycol(:,:) = 0.
571	dqchim(:,:,:) = 0.
572	dqschim(:,:) = 0.
573
574	kb = 1.3806e-23
575
576	! latvl1= 22.27
577	! lonvl1= -47.94
578	! ig_vl1= 1+ int( (1.5-(latvl1-90.)48./180.) -2 )64. + &
579	! int(1.5+(lonvl1+180)*64./360.)
580
581	!=======================================================================
582	! loop over grid
583	!=======================================================================
584
585	do ig = 1,ngrid
586
587	foundswitch = 0
588	do l = 1,nlayer
589	do i = 1,nbq
590	iq = niq(i) ! get tracer index
591	zq(ig,l,iq) = pq(ig,l,iq) + pdq(ig,l,iq)*ptimestep
592	zycol(l,iq) = zq(ig,l,iq)*mmean(ig,l)/mmol(iq)
593	end do
594	zt(ig,l) = pt(ig,l) + pdt(ig,l)*ptimestep
595	zu(ig,l) = pu(ig,l) + pdu(ig,l)*ptimestep
596	zv(ig,l) = pv(ig,l) + pdv(ig,l)*ptimestep
597	zpress(l) = pplay(ig,l)/100.
598	ztemp(l) = zt(ig,l)
599	zdens(l) = zpress(l)/(kb1.e4ztemp(l))
600	zlocal(l) = zzlay(ig,l)/1000.
601	zmmean(l) = mmean(ig,l)
602	ztelec(l) = temp_elect(zlocal(l),ztemp(l),1)
603	!Electronic temperature. Index 1 -> Viking; Index 2-> MAVEN
604
605	! surfdust1d and surfice1d: conversion from m2/m3 to cm2/cm3
606
607	surfdust1d(l) = surfdust(ig,l)*1.e-2
608	surfice1d(l) = surfice(ig,l)*1.e-2
609
610	! search for switch index between regions
611
612	if (unichim) then
613	lswitch = nlayer + 1
614	else
615	if (foundswitch == 0 .and. pplay(ig,l) < 1.e-1) then
616	lswitch = l
617	foundswitch = 1
618	end if
619	endif
620	end do ! of do l=1,nlayer
621
622	szacol = acos(mu0(ig))*180./pi
623	taucol = tau(ig)
624
625	!=======================================================================
626	! call chemical subroutines
627	!=======================================================================
628
629	if (photochem) then
630	! set number of reactions, depending on ion chemistry or not
631	if (ionchem) then
632	nb_reaction_4_max = 60 ! set number of bimolecular reactions
633	nb_reaction_3_max = 6 ! set number of quadratic reactions
634	nquench = 9 ! set number of quenching + heterogeneous reactions
635	nphotion = 18 ! set number of photoionizations
636	else
637	nb_reaction_4_max = 31 ! set number of bimolecular reactions
638	nb_reaction_3_max = 6 ! set number of quadratic reactions
639	nquench = 9 ! set number of quenching + heterogeneous reactions
640	nphotion = 0 ! set number of photoionizations
641	end if
642
643	! nb_phot_max is the total number of processes that are treated
644	! numerically as a photolysis:
645
646	nb_phot_max = nphot + nphotion + nquench
647
648	! call main photochemistry routine
649
650	call photochemistry(nlayer,nq,nbq,ionchem,nb_reaction_3_max, &
651	nb_reaction_4_max, nb_phot_max, nphotion, &
652	jonline, ig,lswitch,zycol,szacol,ptimestep, &
653	zpress,zlocal,ztemp,ztelec,zdens,zmmean, &
654	dist_sol,zday,surfdust1d,surfice1d, &
655	jo3,jh2o,taucol,iter)
656
657	! ozone photolysis, for output
658
659	do l = 1,nlayer
660	jo3_3d(ig,l) = jo3(l)
661	jh2o_3d(ig,l) = jh2o(l)
662	iter_3d(ig,l) = iter(l)
663	end do
664
665	! condensation of h2o2
666
667	call perosat(ngrid, nlayer, nq, &
668	ig,ptimestep,pplev,pplay, &
669	ztemp,zycol,dqcloud,dqscloud)
670
671	! case of separate photochemical model in the thermosphere
672
673	if (.not.unichim) then
674	chemthermod = 3 !C/O/H/N/ions
675	call chemthermos(ig,nlayer,lswitch,chemthermod,zycol,ztemp,&
676	zdens,zpress,zlocal,szacol,ptimestep,zday,&
677	em_no,em_o2)
678	do l = 1,nlayer
679	emission_no(ig,l) = em_no(l)
680	emission_o2(ig,l) = em_o2(l)
681	end do
682	end if
683
684	end if ! photochem
685
686	! dry deposition
687
688	if (depos) then
689	call deposition(ngrid, nlayer, nq, &
690	ig, ig_vl1, pplay, pplev, zzlay, zzlev, &
691	zu, zv, zt, zycol, ptimestep, co2ice)
692	end if
693
694	!=======================================================================
695	! tendencies
696	!=======================================================================
697
698	! index of the most abundant species at each level
699
700	! major(:) = maxloc(zycol, dim = 2)
701
702	! tendency for the most abundant species = - sum of others
703
704	do l = 1,nlayer
705	iloc=maxloc(zycol(l,:))
706	iqmax=iloc(1)
707	do i = 1,nbq
708	iq = niq(i) ! get tracer index
709	if (iq /= iqmax) then
710	dqchim(ig,l,iq) = (zycol(l,iq)*mmol(iq)/mmean(ig,l) &
711	- zq(ig,l,iq))/ptimestep
712	dqchim(ig,l,iqmax) = dqchim(ig,l,iqmax) &
713	- dqchim(ig,l,iq)
714	end if
715	end do
716	end do ! of do l = 1,nlayer
717
718	!=======================================================================
719	! end of loop over grid
720	!=======================================================================
721
722	end do ! of do ig=1,ngrid
723
724	!=======================================================================
725	! write outputs
726	!=======================================================================
727
728	! value of parameter 'output' to trigger writting of outputs
729	! is set above at the declaration of the variable.
730
731	if (photochem .and. output) then
732	if (ngrid > 1) then
733	call writediagfi(ngrid,'jo3','j o3->o1d', &
734	's-1',3,jo3_3d(1,1))
735	call writediagfi(ngrid,'jh2o','jh2o', &
736	's-1',3,jh2o_3d(1,1))
737	call writediagfi(ngrid,'iter','iterations', &
738	' ',3,iter_3d(1,1))
739
740	if (.not. unichim) then
741	call writediagfi(ngrid,'emission_no', &
742	'NO nightglow emission rate','cm-3 s-1',3,emission_no)
743	call writediagfi(ngrid,'emission_o2', &
744	'O2 nightglow emission rate','cm-3 s-1',3,emission_o2)
745	endif
746
747	if (callstats) then
748	call wstats(ngrid,'jo3','j o3->o1d', &
749	's-1',3,jo3_3d(1,1))
750	call wstats(ngrid,'emission_no', &
751	'NO nightglow emission rate','cm-3 s-1',3,emission_no)
752	call wstats(ngrid,'emission_o2', &
753	'O2 nightglow emission rate','cm-3 s-1',3,emission_o2)
754	call wstats(ngrid,'mmean','mean molecular mass', &
755	'g.mole-1',3,mmean(1,1))
756	endif
757	end if ! of if (ngrid.gt.1)
758	end if ! of if (output)
759
760	end subroutine calchim
761
762
763	subroutine ini_calchim_mod(ngrid,nlayer,nq)
764
765	implicit none
766
767	integer,intent(in) :: ngrid ! number of atmospheric columns
768	integer,intent(in) :: nlayer ! number of atmospheric layers
769	integer,intent(in) :: nq ! number of tracers
770
771	allocate(zdqchim(ngrid,nlayer,nq))
772	zdqchim(:,:,:)=0
773	allocate(zdqschim(ngrid,nq))
774	zdqschim(:,:)=0
775
776	end subroutine ini_calchim_mod
777
778
779	subroutine end_calchim_mod
780
781	implicit none
782
783	if (allocated(zdqchim)) deallocate(zdqchim)
784	if (allocated(zdqschim)) deallocate(zdqschim)
785
786	end subroutine end_calchim_mod
787
788	END MODULE calchim_mod
789

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