Changes between Version 14 and Version 15 of doc/app/chemistry_parameters
- Timestamp:
- Oct 11, 2018 7:53:26 AM (6 years ago)
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doc/app/chemistry_parameters
v14 v15 5 5 Since Version 5.0 a chemistry model is available in PALM which computes chemical conversion and tranport of reactive trace gases. In addition this module permits also the simulation of passive compounds in the gas phase and particulate matter. 6 6 7 The main routines and the Driver of the chemistry module is included in chemistry_model_mod.f90. 7 All parts of code that are related to chemistry start with `chem`. 8 The main routines and the driver of the chemistry module is included in chemistry_model_mod.f90. The main routines and the driver of the chemistry module is included in chemistry_model_mod.f90, subroutines are in chem_gasphase_mod.f90, chem_photolysis_mod.f90, and chem_emissions.f90. 8 9 9 10 The module chem_gasphase_mod.f90, where the gas phase chemistry rate equations are solved within PALM4U depends on the chosen chemical mechanism. chem_gasphase_mod.f90 is generated by a preprocessor that is based on the Kinetic Pre-Processor KPP (Damian et al., 2002, Sandu et al., 2006), Release 2.2.3 from November 2012 (http://people.cs.vt.edu/asandu/Software/Kpp/, kpp-2.2.3.tar.gz) and an adapted version of the KPP postprocessor KP4 (Jöckel et al, 2010, https://www.geosci-model-dev.net/3/717/2010/). This adapted Version of kp4 which converts the KPP-generated code to a PALM4U module is named kpp4palm. 10 11 12 The chemical preprocessor is located in the subdirectory `UTIL/chemistry/gasphase_preproc`. 13 11 14 Currently PALM-4U includes the following sample of chemistry mechanisms:\\ 12 CBM4: Carbon Bond Mechanism (Gery et al. 1989, 32 compounds, 81 reactions)\\13 SMOG: Photochemical smog mechanism (13 compounds, 12 reactions)\\14 SIMPLE: Simplified versio of SMOG (9 compounds, 7 reactions)\\15 PHSTAT: Photo-stationary state (3 compounds, 2 reactions)\\15 * CBM4: Carbon Bond Mechanism (Gery et al. 1989, 32 compounds, 81 reactions)\\ 16 * SMOG: Photochemical smog mechanism (13 compounds, 12 reactions)\\ 17 * SIMPLE: Simplified versio of SMOG (9 compounds, 7 reactions)\\ 18 * PHSTAT: Photo-stationary state (3 compounds, 2 reactions)\\ 16 19 17 Additionally 'mechanisms' are avail ble that describes the transport of one and two passive tracers[[BR]]18 PASSIVE1: Passive tracers (1 compound, 0 reactions)\\19 PASSIVE: Passive tracers (2 compounds, 0 reactions)\\20 and the mechanisms mentione s above plus one passive Tracer (e.g SIMPLE: Simplified of SMOG plus one Tracer named PM10 (10 compounds, 7 reactions). The list will be extended further.20 Additionally 'mechanisms' are available that describes the transport of one and two passive tracers[[BR]] 21 * PASSIVE1: Passive tracers (1 compound, 0 reactions)\\ 22 * PASSIVE: Passive tracers (2 compounds, 0 reactions)\\ 23 and the mechanisms mentioned above plus one passive Tracer (e.g SIMPLEP: SIMPLE plus one Tracer named PM10 (i.e. 10 compounds, 7 reactions). The list will be extended further. 21 24 22 25 For details about preparing a chem_gasphase_mod.f90 for different chemical mechanism than the one that comes with checkout of PALM4U (currently PASSIVE) see Readme_KPP4PALM.odt in the PALM4U subdirectory UTIL/chemistry/gasphase_preproc. 26 27 A main factor influencing atmospheric chemistry are the emissions of reactive compounds. In PALM4U emissions can be appliued in three different ways:\\ 28 * PARAMETERIZED: Traffic emissions are parameterized depending on the the values of street_type in the static file. Emission values for each street type and chemical compound must be supplied in the namelist as described beow. No other emissions are considered. street_type can be obtained from Openstreetmap.\\ 29 * DEFAULT: Gridded yearly emissions must be supplied by the user as specified in the PIDS document (see sample emissions file). Typical temporal variations are apllied by PALM4U.\\ 30 * PREPROCESSED: Preprocessed hourly (other temporal intervals will be possible in later versions) 3-d emission fields must be supplied by the user. 31 23 32 24 33 Chemistry is automatically activated when a {{{chemistry_parameters}}} namelist is set in the parameter file ({{{_p3d}}}).
