source: palm/trunk/SOURCE/chem_modules.f90 @ 3876

Last change on this file since 3876 was 3876, checked in by knoop, 2 years ago

Moved "photolysis_scheme", "chem_species" and "phot_frequen" to chem_modules

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1!> @file chem_modules.f90
2!------------------------------------------------------------------------------!
3! This file is part of the PALM model system.
4!
5! PALM is free software: you can redistribute it and/or modify it under the
6! terms of the GNU General Public License as published by the Free Software
7! Foundation, either version 3 of the License, or (at your option) any later
8! version.
9!
10! PALM is distributed in the hope that it will be useful, but WITHOUT ANY
11! WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
12! A PARTICULAR PURPOSE.  See the GNU General Public License for more details.
13!
14! You should have received a copy of the GNU General Public License along with
15! PALM. If not, see <http://www.gnu.org/licenses/>.
16!
17! Copyright 2018-2019 Leibniz Universitaet Hannover
18! Copyright 2018-2019 Karlsruhe Institute of Technology
19! Copyright 2018-2019 Freie Universitaet Berlin
20!------------------------------------------------------------------------------!
21!
22! Current revisions:
23! -----------------
24!
25!
26! Former revisions:
27! -----------------
28! $Id: chem_modules.f90 3876 2019-04-08 18:41:49Z knoop $
29! Formatting, clean-up, clarified/corrected comments
30!
31! 3833 2019-03-28 15:04:04Z forkel
32! removed USE chem_gasphase_mod
33!
34! 3827 2019-03-27 17:20:32Z forkel
35! some formatting  and reordering (ecc)
36!
37! 3820 2019-03-27 11:53:41Z forkel
38! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type
39!
40!
41! 3780 2019-03-05 11:19:45Z forkel
42! added cs_mech
43!
44! 3652 2019-01-07 15:29:59Z forkel
45! parameter chem_mechanism added (basit)
46!
47! 3636 2018-12-19 13:48:34Z raasch
48! nopointer option removed
49!
50! 3611 2018-12-07 14:14:11Z banzhafs
51! Minor formatting
52!
53! 3458 2018-10-30 14:51:23Z kanani
54! from chemistry branch r3443:
55! ??
56!
57! 3298 2018-10-02 12:21:11Z kanani
58! - Minor formatting
59! - Introduced Variables for Chemistry emissions Module (Russo)
60! - Variables and parameters added for 2d and profile output (basit)
61! - Converted scalar  emission factors  to 1-D array of 99 elements each (basit)
62! - Removed "__chem" directive (basit)
63!
64! 3282 2018-09-27 10:49:12Z basit
65! Initial revision
66!
67! Authors:
68! --------
69! @author Farah Kanani-Suehring
70! @author Basit Khan
71! @author Sabine Banzhaf
72! @author Emmanuele Russo
73! @author Edward C. Chan
74!
75!------------------------------------------------------------------------------!
76! Description:
77! ------------
78!> Definition of global PALM-4U chemistry variables
79!------------------------------------------------------------------------------!
80!
81 MODULE chem_modules
82
83    USE control_parameters,                                                    &
84        ONLY: varnamelength
85
86    USE kinds
87
88    IMPLICIT NONE
89
90    CHARACTER (LEN=20) ::  bc_cs_b        = 'dirichlet'         !< namelist parameter: surface boundary condition for concentration
91    CHARACTER (LEN=20) ::  bc_cs_t        = 'initial_gradient'  !< namelist parameter: top boudary condition for concentration
92    CHARACTER (LEN=30) ::  chem_mechanism = 'phstatp'           !< namelist parameter: chemistry mechanism
93    CHARACTER (LEN=80) ::  daytype_mdh    = 'workday'           !< namelist parameter: type of day - workday, weekend, holiday
94    CHARACTER (LEN=80) ::  mode_emis      = 'PARAMETERIZED'     !< namelist parameter: mode of chemistry emissions - DEFAULT, EXPERT, PARAMETERIZED
95    CHARACTER (LEN=80) ::  time_fac_type  = 'MDH'               !< namelist parameter: type of time treatment in the mode_emis DEFAULT - HOUR, MDH
96    CHARACTER (LEN=10) ::  photolysis_scheme                    !< 'constant',
97                                                                !< 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180
98                                                                !< 'fastj'  (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED
99
100    CHARACTER (LEN=11), DIMENSION(99) ::  cs_name             = 'novalue'  !< namelist parameter: names of species with given fluxes (see csflux)
101    CHARACTER (LEN=11), DIMENSION(99) ::  cs_profile_name     = 'novalue'  !< namelist parameter: tbc...???
102    CHARACTER (LEN=11), DIMENSION(99) ::  data_output_pr_cs   = 'novalue'  !< namelist parameter: tbc...???
103    CHARACTER (LEN=11), DIMENSION(99) ::  surface_csflux_name = 'novalue'  !< namelist parameter: tbc...???
104
105    INTEGER(iwp) ::  cs_pr_count                           = 0      !< counter for chemical species profiles
106    INTEGER(iwp) ::  cs_vertical_gradient_level_ind(99,10) = -9999  !< grid index values of cs_vertical_gradient_level
107    INTEGER(iwp) ::  ibc_cs_b                                       !< integer flag for bc_cs_b
108    INTEGER(iwp) ::  ibc_cs_t                                       !< integer flag for bc_cs_t
109    INTEGER(iwp) ::  main_street_id                        = 0      !< namelist parameter: lower bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode
110    INTEGER(iwp) ::  max_pr_cs                             = 0      !<
111    INTEGER(iwp) ::  max_street_id                         = 0      !< namelist parameter: upper bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode     
112    INTEGER(iwp) ::  nspec_out                                      !< output of routine chem_emis_matching with.....???
113    INTEGER(iwp) ::  side_street_id                        = 0      !< namelist parameter: lower bound of side street IDs (OpenStreetMaps) for PARAMETERIZED mode
114
115    INTEGER(iwp), DIMENSION(99) ::  cs_pr_index  = 0      !< index for chemical species profiles
116    INTEGER(iwp), DIMENSION(:)  ::  match_spec_nox(1:2)   !< results of matching the input and model's NOx
117    INTEGER(iwp), DIMENSION(:)  ::  match_spec_pm(1:3)    !< results of matching the input and model's PMs
118    INTEGER(iwp), DIMENSION(:)  ::  match_spec_sox(1:2)   !< results of matching the input and model's SOx!
119
120    INTEGER(iwp), DIMENSION(:), ALLOCATABLE ::  match_spec_input      !< index of input chem species for matching routine
121    INTEGER(iwp), DIMENSION(:), ALLOCATABLE ::  match_spec_model      !< index of model chem species for matching routine
122    INTEGER(iwp), DIMENSION(:), ALLOCATABLE ::  match_spec_voc_input  !< index of VOC input components matching the model's VOCs
123    INTEGER(iwp), DIMENSION(:), ALLOCATABLE ::  match_spec_voc_model  !< index of VOC model species matching the input VOCs comp.
124
125    LOGICAL ::  constant_top_csflux(99)   = .TRUE.   !< internal flag, set to .FALSE. if no top_csflux is prescribed
126    LOGICAL ::  constant_csflux(99)       = .TRUE.   !< internal flag, set to .FALSE. if no surface_csflux is prescribed
127    LOGICAL ::  call_chem_at_all_substeps = .FALSE.  !< namelist parameter: ....???
128    LOGICAL ::  chem_debug0               = .FALSE.  !< namelist parameter: flag for minimum print output
129    LOGICAL ::  chem_debug1               = .FALSE.  !< namelist parameter: flag for print output
130    LOGICAL ::  chem_debug2               = .FALSE.  !< namelist parameter: flag for further print output
131    LOGICAL ::  chem_gasphase_on          = .TRUE.   !< namelist parameter: flag to switch off chemical reactions
132    LOGICAL ::  cs_pr_namelist_found      = .FALSE.  !< ...???
133    LOGICAL ::  deposition_dry            = .FALSE.  !< namelist parameter: flag for activation of deposition calculation
134    LOGICAL ::  emissions_anthropogenic   = .FALSE.  !< namelist parameter: flag for turning on anthropogenic emissions
135    LOGICAL ::  emission_output_required  = .TRUE.   !< internal flag for requiring emission outputs
136
137    REAL(wp) ::  cs_surface_initial_change(99)     = 0.0_wp        !< namelist parameter: ...???
138    REAL(wp) ::  cs_vertical_gradient(99,10)       = 0.0_wp        !< namelist parameter: ...???
139    REAL(wp) ::  cs_vertical_gradient_level(99,10) = -999999.9_wp  !< namelist parameter: ...???
140    REAL(wp) ::  emiss_factor_main(99)             = -9999.0_wp    !< namelist parameter: ...???
141    REAL(wp) ::  emiss_factor_side(99)             = -9999.0_wp    !< namelist parameter: ...???
142    REAL(wp) ::  surface_csflux(99)                = 0.0_wp        !< namelist parameter: ...???
143    REAL(wp) ::  top_csflux(99)                    = 0.0_wp        !< namelist parameter: ...???
144    REAL(wp) ::  wall_csflux(99,0:5)               = 0.0_wp        !< namelist parameter: ...???
145
146    REAL(wp), DIMENSION(99)     ::  cs_surface = 0.0_wp        !< namelist parameter: chem species concentration at surface
147    REAL(wp), DIMENSION(99,100) ::  cs_heights = 9999999.9_wp  !< namelist parameter: height levels for initial chem species concentrations
148    REAL(wp), DIMENSION(99,100) ::  cs_profile = 9999999.9_wp  !< namelist parameter: chem species concentration values at cs_heights levels
149
150    REAL(wp), DIMENSION(:), ALLOCATABLE ::  bc_cs_t_val  !< vertical gradient of chemical species near domain top
151    REAL(wp), DIMENSION(:), ALLOCATABLE ::  css          !< scaling parameter for chem species
152
153    REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE ::  emis_distribution  !< emissions final values (main module output) ???
154                                 
155    REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET ::  cs_1  !< pointer for swapping of timelevels for respective quantity
156    REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET ::  cs_2  !< pointer for swapping of timelevels for respective quantity
157    REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET ::  cs_3  !< pointer for swapping of timelevels for respective quantity
158
159    REAL(wp), DIMENSION(:,:,:), POINTER ::  cs     !< pointer: sgs chem spcs  ???
160    REAL(wp), DIMENSION(:,:,:), POINTER ::  cs_p   !< pointer: prognostic value of sgs chem spcs ???
161    REAL(wp), DIMENSION(:,:,:), POINTER ::  tcs_m  !< pointer: to tcs array (temp)
162
163    REAL, PARAMETER ::  xm_air   =   28.964e-3             !< air      molecular weight (kg/mol)
164    REAL, PARAMETER ::  xm_C     =   12.01115e-3           !< C        molecular weight (kg/mol)
165    REAL, PARAMETER ::  xm_Ca    =   40.07800e-3           !< Ca       molecular weight (kg/mol)
166    REAL, PARAMETER ::  xm_Cd    =  112.41000e-3           !< Cd       molecular weight (kg/mol)
167    REAL, PARAMETER ::  xm_Cl    =   35.45300e-3           !< Cl       molecular weight (kg/mol)
168    REAL, PARAMETER ::  xm_dummy = 1000.0e-3               !< dummy    molecular weight (kg/mol)
169    REAL, PARAMETER ::  xm_F     =   18.99840e-3           !< F        molecular weight (kg/mol)
170    REAL, PARAMETER ::  xm_H     =    1.00790e-3           !< H        molecular weight (kg/mol)
171    REAL, PARAMETER ::  xm_K     =   39.09800e-3           !< K        molecular weight (kg/mol)
172    REAL, PARAMETER ::  xm_Mg    =   24.30500e-3           !< Mg       molecular weight (kg/mol)
173    REAL, PARAMETER ::  xm_N     =   14.00670e-3           !< N        molecular weight (kg/mol)
174    REAL, PARAMETER ::  xm_Na    =   22.98977e-3           !< Na       molecular weight (kg/mol)
175    REAL, PARAMETER ::  xm_O     =   15.99940e-3           !< O        molecular weight (kg/mol)
176    REAL, PARAMETER ::  xm_Pb    =  207.20000e-3           !< Pb       molecular weight (kg/mol)
177    REAL, PARAMETER ::  xm_Pb210 =  210.00000e-3           !< Pb (210) molecular weight (kg/mol)
178    REAL, PARAMETER ::  xm_Rn222 =  222.00000e-3           !< Rn (222) molecular weight (kg/mol)
179    REAL, PARAMETER ::  xm_S     =   32.06400e-3           !< S        molecular weight (kg/mol)
180    REAL, PARAMETER ::  xm_CO2   = xm_C + xm_O * 2         !< CO2      molecular weight (kg/mol)
181    REAL, PARAMETER ::  xm_h2o   = xm_H * 2 + xm_O         !< H2O      molecular weight (kg/mol)
182    REAL, PARAMETER ::  xm_HNO3  = xm_H + xm_N + xm_O * 3  !< HNO3     molecular weight (kg/mol)
183    REAL, PARAMETER ::  xm_o3    = xm_O * 3                !< O3       molecular weight (kg/mol)
184    REAL, PARAMETER ::  xm_N2O5  = xm_N * 2 + xm_O * 5     !< N2O5     molecular weight (kg/mol)
185    REAL, PARAMETER ::  xm_NH4   = xm_N + xm_H * 4         !< NH4      molecular weight (kg/mol)
186    REAL, PARAMETER ::  xm_NO3   = xm_N + xm_O * 3         !< NO3      molecular weight (kg/mol)
187    REAL, PARAMETER ::  xm_SO4   = xm_S + xm_O * 4         !< SO4      molecular weight (kg/mol)
188!
189!-  Define chemical variables within chem_species
190    TYPE species_def
191       CHARACTER(LEN=15)                            ::  name         !< name of chemical species
192       CHARACTER(LEN=15)                            ::  unit         !< unit (ppm for gases, kg m^-3 for aerosol tracers)
193       REAL(kind=wp), POINTER, DIMENSION(:,:,:)     ::  conc         !< concentrations of trace gases
194       REAL(kind=wp), POINTER, DIMENSION(:,:,:)     ::  conc_av      !< averaged concentrations
195       REAL(kind=wp), POINTER, DIMENSION(:,:,:)     ::  conc_p       !< conc at prognostic time level
196       REAL(kind=wp), POINTER, DIMENSION(:,:,:)     ::  tconc_m      !< weighted tendency of conc for previous sub-timestep (Runge-Kutta)
197       REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:)   ::  cssws_av     !< averaged fluxes of trace gases at surface
198       REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:)   ::  flux_s_cs    !< 6th-order advective flux at south face of grid box of chemical species (='cs')
199       REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:)   ::  diss_s_cs    !< artificial numerical dissipation flux at south face of grid box of chemical species
200       REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) ::  flux_l_cs    !< 6th-order advective flux at left face of grid box of chemical species (='cs')
201       REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) ::  diss_l_cs    !< artificial numerical dissipation flux at left face of grid box of chemical species
202       REAL(kind=wp), ALLOCATABLE, DIMENSION(:)     ::  conc_pr_init !< initial profile of chemical species
203    END TYPE species_def
204!
205!-- Define photolysis frequencies in phot_frequen
206    TYPE photols_def
207       CHARACTER(LEN=15)                            :: name          !< name of pgotolysis frequency
208       CHARACTER(LEN=15)                            :: unit          !< unit (1/s)
209       REAL(kind=wp), POINTER, DIMENSION(:,:,:)     :: freq          !< photolysis frequency
210    END TYPE photols_def
211
212
213    TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET ::  chem_species
214    TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET ::  phot_frequen
215
216    SAVE
217
218 END MODULE chem_modules
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