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chem_modules.f90 @ 4901

Last change on this file since 4901 was 4881, checked in by forkel, 4 years ago
removed unused parameters and write statements in chemistry
Property svn:keywords set to `Id`
File size: 21.4 KB

Rev	Line
[2615]	1	!> @file chem_modules.f90
[4559]	2	!--------------------------------------------------------------------------------------------------!
[2828]	3	! This file is part of the PALM model system.
[2615]	4	!
[4559]	5	! PALM is free software: you can redistribute it and/or modify it under the terms of the GNU General
	6	! Public License as published by the Free Software Foundation, either version 3 of the License, or
	7	! (at your option) any later version.
[2615]	8	!
[4559]	9	! PALM is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the
	10	! implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General
	11	! Public License for more details.
[2615]	12	!
[4559]	13	! You should have received a copy of the GNU General Public License along with PALM. If not, see
	14	! <http://www.gnu.org/licenses/>.
[2615]	15	!
[4828]	16	! Copyright 2018-2021 Leibniz Universitaet Hannover
	17	! Copyright 2018-2021 Karlsruhe Institute of Technology
	18	! Copyright 2018-2021 Freie Universitaet Berlin
[4559]	19	!--------------------------------------------------------------------------------------------------!
[2615]	20	!
	21	! Current revisions:
[2828]	22	! -----------------
[4881]	23	!
	24	!
[2615]	25	! Former revisions:
	26	! -----------------
	27	! $Id: chem_modules.f90 4881 2021-02-19 22:05:08Z banzhafs $
[4881]	28	! removed unnecessarty namelist parameters
	29	!
	30	!
	31	! 4828 2021-01-05 11:21:41Z Giersch
[4581]	32	! Enable output of vertical fluxes of chemical species.
	33	!
	34	! 4577 2020-06-25 09:53:58Z raasch
[4577]	35	! further re-formatting concerning Fortran parameter variables
	36	!
	37	! 4559 2020-06-11 08:51:48Z raasch
[4559]	38	! file re-formatted to follow the PALM coding standard
	39	!
	40	! 4544 2020-05-21 14:43:05Z raasch
[4544]	41	! conc_av changed from pointer to allocatable array
[4559]	42	!
[4544]	43	! 4511 2020-04-30 12:20:40Z raasch
[4511]	44	! new variables for explicit settings of lateral boundary conditions introduced
	45	!
	46	! 4481 2020-03-31 18:55:54Z maronga
[4559]	47	! added namelist flag 'emiss_read_legacy_mode' to allow concurrent functioning of new emission read
	48	! mode under development (ECC)
[4372]	49	!
[4559]	50	! 4273 2019-10-24 13:40:54Z monakurppa
	51	! Add logical switches nesting_chem and nesting_offline_chem (both .TRUE. by default)
[4372]	52	!
[4273]	53	! 4182 2019-08-22 15:20:23Z scharf
[4182]	54	! Corrected "Former revisions" section
[4559]	55	!
[4182]	56	! 4110 2019-07-22 17:05:21Z suehring
[4110]	57	! +cs_advc_flags_s
[4559]	58	!
[4110]	59	! 4109 2019-07-22 17:00:34Z suehring
[3968]	60	! - introduced namelist item chem_modules@emiss_lod as future
[4559]	61	! - replacement to chem_modules@mode_emis. Currently keeping both for backward compatibility.
	62	! chem_modules@mode_emis will be depreciated upon migration of all dependent modules (e.g., salsa)
[3968]	63	! to chem_modules@emiss_lod
	64	!
	65	! (ecc) 20190513 replaced nspec_out with n_matched_vars
[4559]	66	!
[3968]	67	! 3877 2019-04-08 19:09:16Z knoop
[3835]	68	! Formatting, clean-up, clarified/corrected comments
[4559]	69	!
[3835]	70	! 3833 2019-03-28 15:04:04Z forkel
[3833]	71	! removed USE chem_gasphase_mod
[4559]	72	!
[3833]	73	! 3827 2019-03-27 17:20:32Z forkel
[4559]	74	! some formatting and reordering (ecc)
	75	!
[3827]	76	! 3820 2019-03-27 11:53:41Z forkel
[4559]	77	! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type
[3820]	78	!
	79	! 3780 2019-03-05 11:19:45Z forkel
[3780]	80	! added cs_mech
[4559]	81	!
[3780]	82	! 3652 2019-01-07 15:29:59Z forkel
[3652]	83	! parameter chem_mechanism added (basit)
[4559]	84	!
[4182]	85	! 3282 2018-09-27 10:49:12Z basit
	86	! Initial revision
	87	!
	88	! Authors:
	89	! --------
	90	! @author Farah Kanani-Suehring
	91	! @author Basit Khan
	92	! @author Sabine Banzhaf
	93	! @author Emmanuele Russo
	94	! @author Edward C. Chan
	95	!
[4559]	96	!--------------------------------------------------------------------------------------------------!
[2615]	97	! Description:
	98	! ------------
[3636]	99	!> Definition of global PALM-4U chemistry variables
[4559]	100	!--------------------------------------------------------------------------------------------------!
[2615]	101	!
[2828]	102	MODULE chem_modules
[3085]	103
	104	USE kinds
	105
[2615]	106	IMPLICIT NONE
	107
[4577]	108	REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol)
	109	REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol)
	110	REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol)
	111	REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol)
	112	REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol)
	113	REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol)
	114	REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol)
	115	REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol)
	116	REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol)
	117	REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol)
	118	REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol)
	119	REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol)
	120	REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol)
	121	REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol)
	122	REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol)
	123	REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol)
	124	REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol)
	125	REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol)
	126	REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol)
	127	REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol)
	128	REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol)
	129	REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol)
	130	REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol)
	131	REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol)
	132	REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol)
	133
[4559]	134	CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface
	135	!< boundary condition for concentration
[4511]	136	CHARACTER (LEN=20) :: bc_cs_l = 'undefined' !< left boundary condition
	137	CHARACTER (LEN=20) :: bc_cs_n = 'undefined' !< north boundary condition
	138	CHARACTER (LEN=20) :: bc_cs_r = 'undefined' !< right boundary condition
	139	CHARACTER (LEN=20) :: bc_cs_s = 'undefined' !< south boundary condition
[4559]	140	CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary
	141	!< condition for concentration
	142	CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry
	143	!< mechanism
	144	CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day
	145	!< - workday, weekend, holiday
	146	CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of
	147	!< chemistry emissions -
	148	!< DEFAULT, EXPERT, PARAMETERIZED
[3876]	149	CHARACTER (LEN=10) :: photolysis_scheme !< 'constant',
[4559]	150	!< 'simple' (Simple parameterisation from MCM,
	151	!< Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180
	152	!< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282)
	153	!< STILL NOT IMPLEMENTED
	154	CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis
	155	!< DEFAULT - HOUR, MDH
[3876]	156
[4559]	157	CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter:
	158	!<names of species with given fluxes
	159	!< (see csflux)
	160	CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter:
	161	!< tbc...???
	162	CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter:
	163	!< tbc...???
	164	CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter:
	165	!< tbc...???
[3190]	166
[4511]	167	INTEGER(iwp) :: communicator_chem !< stores the number of the MPI communicator to be used
	168	!< for ghost layer data exchange
	169	!< 1: cyclic, 2: cyclic along x, 3: cyclic along y,
	170	!< 4: non-cyclic
	171
[4581]	172	INTEGER(iwp) :: cs_pr_count_fl_res = 0 !< counter for vertical flux profiles of chemical species (resolved-scale)
	173	INTEGER(iwp) :: cs_pr_count_fl_sgs = 0 !< counter for vertical flux profiles of chemical species (SGS)
	174	INTEGER(iwp) :: cs_pr_count_sp = 0 !< counter for chemical species profiles
[4559]	175	INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of
	176	!< cs_vertical_gradient_level
[3968]	177	INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis)
[4559]	178	!< -1 = unassigned, 0 = parameterized, 1 = default,
	179	!< 2 = pre-processed
[3835]	180	INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b
	181	INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t
[4559]	182	INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs
	183	!< (OpenStreetMaps) for PARAMETERIZED mode
[4581]	184	INTEGER(iwp) :: max_pr_cs = 0 !< number of chemistry profiles in output
[4559]	185	INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs
	186	!< (OpenStreetMaps) for PARAMETERIZED mode
	187	INTEGER(iwp) :: n_matched_vars !< number of matched emissions
	188	!< variables
	189	INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs
	190	!< (OpenStreetMaps) for PARAMETERIZED mode
[3190]	191
[4581]	192	INTEGER(iwp), DIMENSION(99) :: cs_pr_index_sp = 0 !< index for chemical species mean profiles
	193	INTEGER(iwp), DIMENSION(99) :: cs_pr_index_fl_res = 0 !< index for chemical species sgs-flux profiles
	194	INTEGER(iwp), DIMENSION(99) :: cs_pr_index_fl_sgs = 0 !< index for chemical species resolved-scale flux profiles
	195	INTEGER(iwp), DIMENSION(99) :: hom_index_fl_res = 0 !< index of the resolved-scale flux profile with respect to the hom array
	196	INTEGER(iwp), DIMENSION(99) :: hom_index_fl_sgs = 0 !< index of the SGS flux profile with respect to the hom array
	197	INTEGER(iwp), DIMENSION(99) :: hom_index_spec = 0 !< index of the profile with respect to the hom array
	198	INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx
	199	INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs
	200	INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx!
[3835]	201
[4559]	202	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species
	203	!< for matching routine
	204	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species#
	205	!< for matching routine
	206	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input
	207	!< components matching the model's VOCs
	208	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species
	209	!< matching the input VOCs comp.
	210
	211	INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: cs_advc_flags_s !< flags used to degrade order of advection scheme for
[4109]	212	!< chemical species near walls and lateral boundaries
[3835]	213
[4511]	214	LOGICAL :: bc_dirichlet_cs_l = .FALSE. !< flag for indicating a dirichlet condition at
	215	!< the left boundary
	216	LOGICAL :: bc_dirichlet_cs_n = .FALSE. !< flag for indicating a dirichlet condition at
	217	!< the north boundary
	218	LOGICAL :: bc_dirichlet_cs_r = .FALSE. !< flag for indicating a dirichlet condition at
	219	!< the right boundary
	220	LOGICAL :: bc_dirichlet_cs_s = .FALSE. !< flag for indicating a dirichlet condition at
	221	!< the south boundary
	222	LOGICAL :: bc_radiation_cs_l = .FALSE. !< flag for indicating a radiation/neumann
	223	!< condition at the left boundary
	224	LOGICAL :: bc_radiation_cs_n = .FALSE. !< flag for indicating a radiation/neumann
	225	!< condition at the north boundary
	226	LOGICAL :: bc_radiation_cs_r = .FALSE. !< flag for indicating a radiation/neumann
	227	!< condition at the right boundary
	228	LOGICAL :: bc_radiation_cs_s = .FALSE. !< flag for indicating a radiation/neumann
	229	!< condition at the south boundary
[4559]	230	LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no
	231	!< surface_csflux is prescribed
[4881]	232	LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: Never set true
	233	!< except for tests
[4559]	234	LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off
	235	!< chemical reactions
[3835]	236	LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...???
[4559]	237	LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of
	238	!< deposition calculation
	239	LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on
	240	!< anthropogenic emissions
[3835]	241	LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs
[4559]	242	LOGICAL :: emiss_read_legacy_mode = .TRUE. !< namelist parameter: flag to read emission
	243	!< data using legacy mode
[4273]	244	LOGICAL :: nesting_chem = .TRUE. !< apply self-nesting for the chemistry model
[4559]	245	LOGICAL :: nesting_offline_chem = .TRUE. !< apply offline nesting for the chemistry
	246	!< model
[3835]	247
[4881]	248	REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: weighting factor
	249	!< for LOD 0 parameterized emissions
	250	REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: weighting factor
	251	!< for LOD 0 parameterized emissions
	252	REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: surface emission
	253	!< flux or LOD 0 parameterized emissions
	254	REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...???
[3835]	255
[4559]	256	REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species
	257	!< concentration at surface
	258	REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels
	259	!< for initial chem species concentrations
	260	REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species
	261	!< concentration values at cs_heights levels
[3835]	262
[4559]	263	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species
	264	!< near domain top
[3835]	265	REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species
	266
[4581]	267	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: sums_ws_l !< subdomain sum of vertical chemistry flux w'ch'
[3835]	268
[4581]	269	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ???
	270
[4559]	271	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of
	272	!< timelevels for respective quantity
	273	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of
	274	!< timelevels for respective quantity
	275	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of
	276	!< timelevels for respective quantity
	277
[3835]	278	REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ???
	279	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ???
	280	REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp)
	281
[3876]	282	!
	283	!- Define chemical variables within chem_species
	284	TYPE species_def
[4559]	285
[3876]	286	CHARACTER(LEN=15) :: name !< name of chemical species
[4559]	287	CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3
	288	!< for aerosol tracers)
	289
	290	REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical
	291	!< species
	292
	293	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace
	294	!< gases at surface
	295	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at
	296	!< south face of grid box of chemical species (='cs')
	297	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation
	298	!< flux at south face of grid box of chemical species
	299
[4544]	300	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: conc_av !< averaged concentrations
[4559]	301	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at
	302	!< left face of grid box of chemical species (='cs')
	303	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation
	304	!< flux at left face of grid box of chemical species
	305
	306	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace
	307	!< gases
	308	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time
	309	!< level
	310	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc
	311	!< for previous sub-timestep (Runge-Kutta)
	312
[3876]	313	END TYPE species_def
	314	!
	315	!-- Define photolysis frequencies in phot_frequen
	316	TYPE photols_def
[4559]	317
[3876]	318	CHARACTER(LEN=15) :: name !< name of pgotolysis frequency
	319	CHARACTER(LEN=15) :: unit !< unit (1/s)
[4559]	320
[3876]	321	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency
[4559]	322
[3876]	323	END TYPE photols_def
[3458]	324
[3876]	325
	326	TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species
	327	TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen
	328
[2615]	329	SAVE
[3820]	330
[4577]	331	END MODULE chem_modules

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