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source: palm/trunk/SOURCE/chem_modules.f90 @ 4561

Last change on this file since 4561 was 4559, checked in by raasch, 4 years ago
files re-formatted to follow the PALM coding standard
Property svn:keywords set to `Id`
File size: 21.0 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	!
[4481]	16	! Copyright 2018-2020 Leibniz Universitaet Hannover
	17	! Copyright 2018-2020 Karlsruhe Institute of Technology
	18	! Copyright 2018-2020 Freie Universitaet Berlin
[4559]	19	!--------------------------------------------------------------------------------------------------!
[2615]	20	!
	21	! Current revisions:
[2828]	22	! -----------------
[2615]	23	!
[4511]	24	!
[2615]	25	! Former revisions:
	26	! -----------------
	27	! $Id: chem_modules.f90 4559 2020-06-11 08:51:48Z suehring $
[4559]	28	! file re-formatted to follow the PALM coding standard
	29	!
	30	! 4544 2020-05-21 14:43:05Z raasch
[4544]	31	! conc_av changed from pointer to allocatable array
[4559]	32	!
[4544]	33	! 4511 2020-04-30 12:20:40Z raasch
[4511]	34	! new variables for explicit settings of lateral boundary conditions introduced
	35	!
	36	! 4481 2020-03-31 18:55:54Z maronga
[4559]	37	! added namelist flag 'emiss_read_legacy_mode' to allow concurrent functioning of new emission read
	38	! mode under development (ECC)
[4372]	39	!
[4559]	40	! 4273 2019-10-24 13:40:54Z monakurppa
	41	! Add logical switches nesting_chem and nesting_offline_chem (both .TRUE. by default)
[4372]	42	!
[4273]	43	! 4182 2019-08-22 15:20:23Z scharf
[4182]	44	! Corrected "Former revisions" section
[4559]	45	!
[4182]	46	! 4110 2019-07-22 17:05:21Z suehring
[4110]	47	! +cs_advc_flags_s
[4559]	48	!
[4110]	49	! 4109 2019-07-22 17:00:34Z suehring
[3968]	50	! - introduced namelist item chem_modules@emiss_lod as future
[4559]	51	! - replacement to chem_modules@mode_emis. Currently keeping both for backward compatibility.
	52	! chem_modules@mode_emis will be depreciated upon migration of all dependent modules (e.g., salsa)
[3968]	53	! to chem_modules@emiss_lod
	54	!
	55	! (ecc) 20190513 replaced nspec_out with n_matched_vars
[4559]	56	!
[3968]	57	! 3877 2019-04-08 19:09:16Z knoop
[3835]	58	! Formatting, clean-up, clarified/corrected comments
[4559]	59	!
[3835]	60	! 3833 2019-03-28 15:04:04Z forkel
[3833]	61	! removed USE chem_gasphase_mod
[4559]	62	!
[3833]	63	! 3827 2019-03-27 17:20:32Z forkel
[4559]	64	! some formatting and reordering (ecc)
	65	!
[3827]	66	! 3820 2019-03-27 11:53:41Z forkel
[4559]	67	! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type
[3820]	68	!
	69	! 3780 2019-03-05 11:19:45Z forkel
[3780]	70	! added cs_mech
[4559]	71	!
[3780]	72	! 3652 2019-01-07 15:29:59Z forkel
[3652]	73	! parameter chem_mechanism added (basit)
[4559]	74	!
[4182]	75	! 3282 2018-09-27 10:49:12Z basit
	76	! Initial revision
	77	!
	78	! Authors:
	79	! --------
	80	! @author Farah Kanani-Suehring
	81	! @author Basit Khan
	82	! @author Sabine Banzhaf
	83	! @author Emmanuele Russo
	84	! @author Edward C. Chan
	85	!
[4559]	86	!--------------------------------------------------------------------------------------------------!
[2615]	87	! Description:
	88	! ------------
[3636]	89	!> Definition of global PALM-4U chemistry variables
[4559]	90	!--------------------------------------------------------------------------------------------------!
[2615]	91	!
[2828]	92	MODULE chem_modules
[3085]	93
	94	USE kinds
	95
[2615]	96	IMPLICIT NONE
	97
[4559]	98	CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface
	99	!< boundary condition for concentration
[4511]	100	CHARACTER (LEN=20) :: bc_cs_l = 'undefined' !< left boundary condition
	101	CHARACTER (LEN=20) :: bc_cs_n = 'undefined' !< north boundary condition
	102	CHARACTER (LEN=20) :: bc_cs_r = 'undefined' !< right boundary condition
	103	CHARACTER (LEN=20) :: bc_cs_s = 'undefined' !< south boundary condition
[4559]	104	CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary
	105	!< condition for concentration
	106	CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry
	107	!< mechanism
	108	CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day
	109	!< - workday, weekend, holiday
	110	CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of
	111	!< chemistry emissions -
	112	!< DEFAULT, EXPERT, PARAMETERIZED
[3876]	113	CHARACTER (LEN=10) :: photolysis_scheme !< 'constant',
[4559]	114	!< 'simple' (Simple parameterisation from MCM,
	115	!< Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180
	116	!< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282)
	117	!< STILL NOT IMPLEMENTED
	118	CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis
	119	!< DEFAULT - HOUR, MDH
[3876]	120
[4559]	121	CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter:
	122	!<names of species with given fluxes
	123	!< (see csflux)
	124	CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter:
	125	!< tbc...???
	126	CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter:
	127	!< tbc...???
	128	CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter:
	129	!< tbc...???
[3190]	130
[4511]	131	INTEGER(iwp) :: communicator_chem !< stores the number of the MPI communicator to be used
	132	!< for ghost layer data exchange
	133	!< 1: cyclic, 2: cyclic along x, 3: cyclic along y,
	134	!< 4: non-cyclic
	135
[4559]	136	INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species
	137	!< profiles
	138	INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of
	139	!< cs_vertical_gradient_level
[3968]	140	INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis)
[4559]	141	!< -1 = unassigned, 0 = parameterized, 1 = default,
	142	!< 2 = pre-processed
[3835]	143	INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b
	144	INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t
[4559]	145	INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs
	146	!< (OpenStreetMaps) for PARAMETERIZED mode
	147	INTEGER(iwp) :: max_pr_cs = 0 !<
	148	INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs
	149	!< (OpenStreetMaps) for PARAMETERIZED mode
	150	INTEGER(iwp) :: n_matched_vars !< number of matched emissions
	151	!< variables
	152	INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs
	153	!< (OpenStreetMaps) for PARAMETERIZED mode
[3190]	154
[3835]	155	INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profiles
[4559]	156	INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and
	157	!< model's NOx
	158	INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and
	159	!< model's PMs
	160	INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and
	161	!< model's SOx!
[3835]	162
[4559]	163	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species
	164	!< for matching routine
	165	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species#
	166	!< for matching routine
	167	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input
	168	!< components matching the model's VOCs
	169	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species
	170	!< matching the input VOCs comp.
	171
	172	INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: cs_advc_flags_s !< flags used to degrade order of advection scheme for
[4109]	173	!< chemical species near walls and lateral boundaries
[3835]	174
[4511]	175	LOGICAL :: bc_dirichlet_cs_l = .FALSE. !< flag for indicating a dirichlet condition at
	176	!< the left boundary
	177	LOGICAL :: bc_dirichlet_cs_n = .FALSE. !< flag for indicating a dirichlet condition at
	178	!< the north boundary
	179	LOGICAL :: bc_dirichlet_cs_r = .FALSE. !< flag for indicating a dirichlet condition at
	180	!< the right boundary
	181	LOGICAL :: bc_dirichlet_cs_s = .FALSE. !< flag for indicating a dirichlet condition at
	182	!< the south boundary
	183	LOGICAL :: bc_radiation_cs_l = .FALSE. !< flag for indicating a radiation/neumann
	184	!< condition at the left boundary
	185	LOGICAL :: bc_radiation_cs_n = .FALSE. !< flag for indicating a radiation/neumann
	186	!< condition at the north boundary
	187	LOGICAL :: bc_radiation_cs_r = .FALSE. !< flag for indicating a radiation/neumann
	188	!< condition at the right boundary
	189	LOGICAL :: bc_radiation_cs_s = .FALSE. !< flag for indicating a radiation/neumann
	190	!< condition at the south boundary
[4559]	191	LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no
	192	!< top_csflux is prescribed
	193	LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no
	194	!< surface_csflux is prescribed
	195	LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....???
	196	LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print
	197	!< output
[3835]	198	LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter: flag for print output
[4559]	199	LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print
	200	!< output
	201	LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off
	202	!< chemical reactions
[3835]	203	LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...???
[4559]	204	LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of
	205	!< deposition calculation
	206	LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on
	207	!< anthropogenic emissions
[3835]	208	LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs
[4559]	209	LOGICAL :: emiss_read_legacy_mode = .TRUE. !< namelist parameter: flag to read emission
	210	!< data using legacy mode
[4273]	211	LOGICAL :: nesting_chem = .TRUE. !< apply self-nesting for the chemistry model
[4559]	212	LOGICAL :: nesting_offline_chem = .TRUE. !< apply offline nesting for the chemistry
	213	!< model
[3835]	214
	215	REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...???
	216	REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter: ...???
	217	REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter: ...???
	218	REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: ...???
	219	REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: ...???
	220	REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: ...???
	221	REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter: ...???
	222	REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...???
	223
[4559]	224	REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species
	225	!< concentration at surface
	226	REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels
	227	!< for initial chem species concentrations
	228	REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species
	229	!< concentration values at cs_heights levels
[3835]	230
[4559]	231	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species
	232	!< near domain top
[3835]	233	REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species
	234
[4559]	235	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values
	236	!< (main module output) ???
[3835]	237
[4559]	238	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of
	239	!< timelevels for respective quantity
	240	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of
	241	!< timelevels for respective quantity
	242	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of
	243	!< timelevels for respective quantity
	244
[3835]	245	REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ???
	246	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ???
	247	REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp)
	248
[3827]	249	REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol)
	250	REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol)
	251	REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol)
	252	REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol)
	253	REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol)
	254	REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol)
	255	REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol)
	256	REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol)
	257	REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol)
	258	REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol)
	259	REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol)
	260	REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol)
	261	REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol)
	262	REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol)
	263	REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol)
	264	REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol)
	265	REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol)
	266	REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol)
	267	REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol)
	268	REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol)
	269	REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol)
	270	REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol)
	271	REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol)
	272	REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol)
	273	REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol)
[3876]	274	!
	275	!- Define chemical variables within chem_species
	276	TYPE species_def
[4559]	277
[3876]	278	CHARACTER(LEN=15) :: name !< name of chemical species
[4559]	279	CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3
	280	!< for aerosol tracers)
	281
	282	REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical
	283	!< species
	284
	285	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace
	286	!< gases at surface
	287	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at
	288	!< south face of grid box of chemical species (='cs')
	289	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation
	290	!< flux at south face of grid box of chemical species
	291
[4544]	292	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: conc_av !< averaged concentrations
[4559]	293	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at
	294	!< left face of grid box of chemical species (='cs')
	295	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation
	296	!< flux at left face of grid box of chemical species
	297
	298	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace
	299	!< gases
	300	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time
	301	!< level
	302	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc
	303	!< for previous sub-timestep (Runge-Kutta)
	304
[3876]	305	END TYPE species_def
	306	!
	307	!-- Define photolysis frequencies in phot_frequen
	308	TYPE photols_def
[4559]	309
[3876]	310	CHARACTER(LEN=15) :: name !< name of pgotolysis frequency
	311	CHARACTER(LEN=15) :: unit !< unit (1/s)
[4559]	312
[3876]	313	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency
[4559]	314
[3876]	315	END TYPE photols_def
[3458]	316
[3876]	317
	318	TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species
	319	TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen
	320
[2615]	321	SAVE
[3820]	322
[4559]	323	END MODULE chem_modules

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