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source: palm/trunk/SOURCE/chem_modules.f90 @ 3836

Last change on this file since 3836 was 3835, checked in by kanani, 6 years ago
Formatting, clean-up, clarified/corrected comments (chem_modules)
Property svn:keywords set to `Id`
File size: 11.5 KB

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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 3835 2019-03-28 16:24:29Z raasch $
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
97	CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter: names of species with given fluxes (see csflux)
98	CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter: tbc...???
99	CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter: tbc...???
100	CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter: tbc...???
101
102	INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species profiles
103	INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level
104	INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b
105	INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t
106	INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode
107	INTEGER(iwp) :: max_pr_cs = 0 !<
108	INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode
109	INTEGER(iwp) :: nspec_out !< output of routine chem_emis_matching with.....???
110	INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs (OpenStreetMaps) for PARAMETERIZED mode
111
112	INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profiles
113	INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx
114	INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs
115	INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx!
116
117	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species for matching routine
118	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species for matching routine
119	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input components matching the model's VOCs
120	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species matching the input VOCs comp.
121
122	LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no top_csflux is prescribed
123	LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no surface_csflux is prescribed
124	LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....???
125	LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print output
126	LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter: flag for print output
127	LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print output
128	LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off chemical reactions
129	LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...???
130	LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of deposition calculation
131	LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on anthropogenic emissions
132	LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs
133
134	REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...???
135	REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter: ...???
136	REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter: ...???
137	REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: ...???
138	REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: ...???
139	REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: ...???
140	REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter: ...???
141	REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...???
142
143	REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species concentration at surface
144	REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels for initial chem species concentrations
145	REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species concentration values at cs_heights levels
146
147	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species near domain top
148	REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species
149
150	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ???
151
152	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of timelevels for respective quantity
153	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of timelevels for respective quantity
154	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of timelevels for respective quantity
155
156	REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ???
157	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ???
158	REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp)
159
160	REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol)
161	REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol)
162	REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol)
163	REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol)
164	REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol)
165	REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol)
166	REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol)
167	REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol)
168	REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol)
169	REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol)
170	REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol)
171	REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol)
172	REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol)
173	REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol)
174	REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol)
175	REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol)
176	REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol)
177	REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol)
178	REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol)
179	REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol)
180	REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol)
181	REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol)
182	REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol)
183	REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol)
184	REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol)
185
186	SAVE
187
188	END MODULE chem_modules

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