Changes between Version 76 and Version 77 of doc/app/chemistry_parameters


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Timestamp:
Dec 7, 2018 1:13:11 PM (7 years ago)
Author:
forkel
Comment:

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  • doc/app/chemistry_parameters

    v76 v77  
    3030  * passive1: Passive tracers (1 compound, 0 reactions)\\
    3131  * passive: Passive tracers (2 compounds, 0 reactions)\\
    32 The list will be extended further.
    33 
    34 Currently, areosol compounds can be considered as passive compounds. Implementation of the sectional aerosol module [wiki:doc/tec/aerosol SALSA] (Kokkola et al., 2008 Atmos. Chem. Phys., 8, 2469–2483, 2008) is under way at the University of Helsinki.
    35 
    36 Ready-to-use chem_gasphase_mod.f90 files for each of the mechanisms are supplied in the subdirectories `UTIL/chemistry/gasphase_preproc/mechanisms/def_MECH`, where 'MECH' stands for any of the available mechanisms.
    37 For using a different chemical mechanism than the one that comes with checkout of PALM-4U (currently 'passive'), copy your preferred mechanism into the USER_CODE directory of the respective simulation setup (.../JOBS/<run_identifier>/USER_CODE/chem_gasphase_mod.f90).
    38 {{{#!comment
    39 --> An alternative is to produce own mechanisms, but for the available mechanisms this step is unnecessary because the chem_gasphase_mod.f90 files are already available.
    40  Alternatively, the chemistry preprocessor can be executed: 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.
    41 }}}
    42 
    43 Further details about the use of the preprocessor and how to implement a new chemical mechanism see the [wiki:chempar#no1 Readme-File], This file is also available in the PALM-4U subdirectory UTIL/chemistry/gasphase_preproc. (Note that the vector mode, which is mentioned in this document is not yet available in the trunk - work-in-progress.)
     32This list will be extended further in the future.
     33
     34In 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
     36Alternatively, the chemistry preprocessor can be executed also for the available machanism (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.
     37
     38In 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
     40Further details about the use of the preprocessor and how to implement a new chemical mechanism and add/rename passive Tracers see the [wiki:chempar#no1 Readme-File]. This file is also available in the PALM-4U subdirectory UTIL/chemistry/gasphase_preproc.
     41
     42Currently, 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.
     43
    4444
    4545Deposition processes are also taken into account in the chemistry model. The deposition of particles is derived following Zhang et al. (2001) while gases are deposited using the DEPAC model following van Zanten et al. (2010).