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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

Rev	Line
[2162]	1	MODULE calchim_mod
	2
	3	IMPLICIT NONE
	4
[2164]	5	INTEGER, SAVE :: ichemistry ! compute chemistry every ichemistry physics step
[2162]	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
[2158]	11	subroutine calchim(ngrid,nlayer,nq, &
[1495]	12	ptimestep,pplay,pplev,pt,pdt,dist_sol,mu0, &
	13	zzlev,zzlay,zday,pq,pdq,dqchim,dqschim,dqcloud, &
[2031]	14	dqscloud,tau,co2ice, &
[1495]	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
[2162]	27	use comcstfi_h, only: pi
[2170]	28	use photolysis_mod, only: init_photolysis, nphot
[2158]	29	use iono_h, only: temp_elect
[1495]	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	!
[2031]	46	! ptimestep timestep (s)
[1495]	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)
[2031]	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)
[1495]	61	! surfdust(ngrid,nlayer) dust surface area (m2/m3)
	62	! surfice(ngrid,nlayer) ice surface area (m2/m3)
	63	!
	64	! Output:
	65	!
[2031]	66	! dqchim(ngrid,nlayer,nq) tendencies on pq due to chemistry
	67	! dqschim(ngrid,nq) tendencies on qsurf
[1495]	68	!
	69	!=======================================================================
	70
[2162]	71	include "callkeys.h"
[1495]	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)
[2031]	94	real :: tau(ngrid) ! dust optical depth
[1495]	95	real :: co2ice(ngrid) ! co2 ice surface layer (kg.m-2)
	96	real :: surfdust(ngrid,nlayer) ! dust surface area (m2/m3)
[2031]	97	real :: surfice(ngrid,nlayer) ! ice surface area (m2/m3)
[1495]	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
[2170]	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
[1495]	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
[2027]	160	real :: taucol ! dust optical depth at the surface
[2030]	161	real :: kb ! boltzmann constant
[1495]	162
[2170]	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
[1495]	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)
[2158]	176	real :: ztelec(nlayer) ! Electronic temperature (K)
[1495]	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)
[2030]	184	real :: jh2o(nlayer) ! Photodissociation rate H2O->H+OH (s-1)
[2170]	185	real :: em_no(nlayer) ! NO nightglow emission rate
	186	real :: em_o2(nlayer) ! O2 nightglow emission rate
[1495]	187
[2170]	188	integer :: iter(nlayer) ! Number of chemical iterations
	189	! within one physical timestep
[1495]	190
	191	! for output:
	192
[2213]	193	logical,save :: output ! to issue calls to writediagfi and stats
[1495]	194	real :: jo3_3d(ngrid,nlayer) ! Photodissociation rate O3->O1D (s-1)
[2030]	195	real :: jh2o_3d(ngrid,nlayer) ! Photodissociation rate H2O->H+OH (s-1)
[1888]	196	real :: emission_no(ngrid,nlayer) !NO emission rate
	197	real :: emission_o2(ngrid,nlayer) !O2 emission rate
[1495]	198	real :: iter_3d(ngrid,nlayer) ! Number of chemical iterations
	199	! within one physical timestep
	200
[2170]	201	!=======================================================================
[2213]	202	! initialization of the chemistry (first call only)
[2170]	203	!=======================================================================
[2158]	204
[2213]	205	if (firstcall) then
[2170]	206
[1495]	207	!=======================================================================
[2213]	208	! main dashboard for the chemistry
[1495]	209	!=======================================================================
	210
[2213]	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)
[1495]	216
	217	if (photochem) then
[2044]	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
[1495]	225	end if
[2158]	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
[1495]	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
[2158]	237	! Species ALWAYS present if photochem=.T.
[1495]	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
[2158]	390	i_o2plus = igcm_o2plus
	391	if (i_o2plus == 0) then
[2170]	392	write(,) "calchim: no O2+ tracer "
	393	write(,) "Only neutral chemistry"
[2158]	394	else
	395	nbq = nbq + 1
	396	niq(nbq) = i_o2plus
[2170]	397	ionchem = .true.
	398	write(,) "calchim: O2+ tracer found in traceur.def"
	399	write(,) "Ion chemistry included"
[2158]	400	end if
	401	i_co2plus = igcm_co2plus
[2170]	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
[2158]	411	else
[2170]	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
[2158]	418	i_oplus=igcm_oplus
[2170]	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
[2158]	428	else
[2170]	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
[2158]	435	i_noplus=igcm_noplus
[2170]	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
[2158]	445	else
[2170]	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
[2158]	451	i_coplus=igcm_coplus
[2170]	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
[2158]	461	else
[2170]	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
[2158]	467	i_cplus=igcm_cplus
[2170]	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
[2158]	477	else
[2170]	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
[2158]	483	i_n2plus=igcm_n2plus
[2170]	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
[2158]	493	else
[2170]	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
[2158]	499	i_nplus=igcm_nplus
[2170]	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
[2158]	509	else
[2170]	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
[2158]	515	i_hplus=igcm_hplus
[2170]	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
[2158]	525	else
[2170]	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
[2158]	531	i_hco2plus=igcm_hco2plus
[2170]	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
[2158]	541	else
[2170]	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
[2158]	547	i_elec = igcm_elec
[2170]	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
[2158]	557	else
[2170]	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
[1495]	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
[2030]	574	kb = 1.3806e-23
	575
[1495]	576	! latvl1= 22.27
	577	! lonvl1= -47.94
[2029]	578	! ig_vl1= 1+ int( (1.5-(latvl1-90.)48./180.) -2 )64. + &
	579	! int(1.5+(lonvl1+180)*64./360.)
[1495]	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)
[2158]	602	ztelec(l) = temp_elect(zlocal(l),ztemp(l),1)
	603	!Electronic temperature. Index 1 -> Viking; Index 2-> MAVEN
[1495]	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
[2158]	610	! search for switch index between regions
[2170]	611
	612	if (unichim) then
	613	lswitch = nlayer + 1
[2158]	614	else
[1495]	615	if (foundswitch == 0 .and. pplay(ig,l) < 1.e-1) then
	616	lswitch = l
	617	foundswitch = 1
	618	end if
[2158]	619	endif
[1495]	620	end do ! of do l=1,nlayer
	621
	622	szacol = acos(mu0(ig))*180./pi
[2031]	623	taucol = tau(ig)
[1495]	624
	625	!=======================================================================
	626	! call chemical subroutines
	627	!=======================================================================
	628
	629	if (photochem) then
[2170]	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, &
[2158]	655	jo3,jh2o,taucol,iter)
[1495]	656
	657	! ozone photolysis, for output
	658
	659	do l = 1,nlayer
	660	jo3_3d(ig,l) = jo3(l)
[2030]	661	jh2o_3d(ig,l) = jh2o(l)
[1495]	662	iter_3d(ig,l) = iter(l)
	663	end do
[2170]	664
[1495]	665	! condensation of h2o2
	666
	667	call perosat(ngrid, nlayer, nq, &
	668	ig,ptimestep,pplev,pplay, &
	669	ztemp,zycol,dqcloud,dqscloud)
	670
[2170]	671	! case of separate photochemical model in the thermosphere
	672
	673	if (.not.unichim) then
	674	chemthermod = 3 !C/O/H/N/ions
[2158]	675	call chemthermos(ig,nlayer,lswitch,chemthermod,zycol,ztemp,&
	676	zdens,zpress,zlocal,szacol,ptimestep,zday,&
	677	em_no,em_o2)
[2170]	678	do l = 1,nlayer
	679	emission_no(ig,l) = em_no(l)
	680	emission_o2(ig,l) = em_o2(l)
	681	end do
[2158]	682	end if
[1495]	683
[2170]	684	end if ! photochem
	685
[1495]	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))
[2030]	735	call writediagfi(ngrid,'jh2o','jh2o', &
	736	's-1',3,jh2o_3d(1,1))
[1495]	737	call writediagfi(ngrid,'iter','iterations', &
	738	' ',3,iter_3d(1,1))
[2170]	739
	740	if (.not. unichim) then
[2158]	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
[2042]	746
[1495]	747	if (callstats) then
	748	call wstats(ngrid,'jo3','j o3->o1d', &
	749	's-1',3,jo3_3d(1,1))
[1888]	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)
[1495]	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
[2162]	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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