Changes between Version 79 and Version 80 of doc/app/chemistry_parameters
- Timestamp:
- Dec 17, 2018 3:31:57 PM (6 years ago)
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doc/app/chemistry_parameters
v79 v80 24 24 * smog: Photochemical smog mechanism (13 compounds, 12 reactions)\\ 25 25 * simple: Simplified version of SMOG (9 compounds, 7 reactions)\\ 26 * simplep: SIMPLEplus one tracer named PM10 (10 compounds, 7 real reactions plus one dummy 'reaction')\\26 * simplep: 'simple' plus one tracer named PM10 (10 compounds, 7 real reactions plus one dummy 'reaction')\\ 27 27 * phstat: Photo-stationary state (3 compounds, 2 reactions)\\ 28 * phstatp: Photo-stationary state plus one passive tracer named PM10 (4 compounds, 2 real reactions plus one dummy 'reaction')\\ 28 29 29 30 Additional 'mechanisms' are available that describe the transport of one or two passive tracers, i.e. no chemical reactions are necessary:\\ … … 32 33 This list will be extended further in the future. 33 34 34 In order to select and apply a certain mechanism from this sample, please copy the repctive ready-to-use `chem_gasephase_mod.f90` from `UTIL/chemistry/gasphase_preproc/mechanisms/def_MECH` (where `MECH` stands for any of the available mechanisms) into the USER_CODE directory of the respective simulation Setup, i.e. .../JOBS/<run_identifier>/USER_CODE/chem_gasphase_mod.f90. 35 36 Alternatively, the chemistry preprocessor can be executed also for the available machanism in order to create chem_gasphase_mod.f90 (although for the available mechanisms this is not necessary because the chem_gasphase_mod.f90 files are already existing) instead of copying chem_gasphase_mod.f90: Enter the directory UTIL/chemistry/gasphase_preproc and apply the run script, i.e. {{{run_kpp4palm.ksh -m MECH}}}, where MECH stands for any of the mechanisms listed above. The resulting chem_gasphase_mod.f90 will be copied directly into the SOURCE directory. 35 The standard mechanism which is in the SOURCE directory is 'phstatp'. 36 37 In order to select and apply a certain mechanism from this sample, please copy the respective ready-to-use `chem_gasephase_mod.f90` from `UTIL/chemistry/gasphase_preproc/mechanisms/def_MECH` (where `MECH` stands for any of the available mechanisms) into the USER_CODE directory of the respective simulation Setup, i.e. .../JOBS/<run_identifier>/USER_CODE/chem_gasphase_mod.f90. 38 39 Alternatively, the chemistry preprocessor can be executed also for the available machanism in order to create chem_gasphase_mod.f90 (although for the available mechanisms this is not necessary because the chem_gasphase_mod.f90 files are already existing) instead of copying chem_gasphase_mod.f90: Enter the directory UTIL/chemistry/gasphase_preproc and apply the run script, i.e. {{{run_kpp4palm.ksh -m MECH}}}, where MECH stands for any of the mechanisms listed above. The resulting chem_gasphase_mod.f90 will be copied by the script directly into the SOURCE directory. 37 40 38 41 In order to find out which reactions and compounds are included in the different mechanisms, please have a look into the files MECH.eqn and MECH.spc in `UTIL/chemistry/gasphase_preproc/mechanisms/def_MECH`. 39 42 40 How to implement a new chemical mechanism or add further passive Tracers see the [wiki:chempar#no1 Readme-File]. If more than two passive tracers or different names of the passive tracers are desired, a new 'mechanism' must be created as described in the Readme file. The Readme file is also available in the PALM-4U subdirectory UTIL/chemistry/gasphase_preproc.43 How to implement a new chemical mechanism or add further passive tracers see the [wiki:chempar#no1 Readme-File]. If more than two passive tracers or different names of the passive tracers are desired, a new 'mechanism' must be created as described in the Readme file. The Readme file is also available in the PALM-4U subdirectory UTIL/chemistry/gasphase_preproc. 41 44 42 45 Currently, areosol compounds can be considered either as passive compounds or the sectional aerosol module SALSA [wiki:wiki/doc/app/salsa] (Kokkola et al., 2008 Atmos. Chem. Phys., 8, 2469–2483, 2008) can be used to simulate the aerosol particle concentrations, and size distributions. … … 569 572 [=#testsetups '''Test setups:]\\ 570 573 571 Test setups are attached here for the small test_urban setup with two passive compounds and a 1km x 1km model domain with 10 m grid width, which is centered around the Ernst-Reuter-Platz in Berlin. For this domain, example input files are supplied for two chem sitry settings:574 Test setups are attached here for the small test_urban setup with two passive compounds and a 1km x 1km model domain with 10 m grid width, which is centered around the Ernst-Reuter-Platz in Berlin. For this domain, example input files are supplied for two chemistry settings: 572 575 two passive compounds ('passive')\\ 573 576 the 'smog' mechanism\\ 574 577 575 Please note that PALM-4U comes by default with the code for t wo passive tracers, i.e. {{{chem_gashase_mod.f90}}} is prepared for 'passive'. In order to run PALM-4Uwith the 'smog' mechanism, copy the {{{chem_gashase_mod.f90}}}, which is supplied in {{{UTIL/chemistry/gasphase_preproc/mechanisms/def_smog}}} into {{{SOURCE}}} (or execute {{{run_kpp4palm.ksh -m smog}}}.578 Please note that PALM-4U comes by default with the code for the photostationay equilibrium between NO, NO2 and O3 plus one passive tracer, i.e. {{{chem_gashase_mod.f90}}} is prepared for 'phstatp'. In order to run PALM-4U e.g. with the 'smog' mechanism, copy the {{{chem_gashase_mod.f90}}}, which is supplied in {{{UTIL/chemistry/gasphase_preproc/mechanisms/def_smog}}} into {{{SOURCE}}} (or execute {{{run_kpp4palm.ksh -m smog}}}. 576 579 577 580 So far, all example setups are supplied for 'PARAMETERIZED' emissions. Example emissions files for 'PREPROCESSED' and 'DEFAULT' emissions will be supplied here at a later time.