Difference between revisions of "GEOS-Chem chemistry mechanisms"

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On this page, we provide an overview of the chemistry mechanisms used in GEOS-Chem.
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#REDIRECT [[Simulations using KPP-built mechanisms]]
 
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== Overview ==
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GEOS-Chem can perform many different types of chemical simulations, including:
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*Several detailed ozone chemistry mechanisms
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*Specialty simulations for tracers with simpler chemistry, including
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**Radon-Lead-Beryllium
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**Carbon gases (CO, CO2)
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**Mercury
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**Methane
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**etc.
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You may find more information about each of these mechanisms in the subsections below.
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--[[User:Bmy|Bob Y.]] 10:08, 1 October 2013 (EDT)
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== NOx-Ox-hydrocarbon-aerosol chemistry and variants ==
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The NOx-Ox-hydrocarbon-aerosol (aka "full-chemistry") simulations have undergone several updates in recent GEOS-Chem versions.  We provide a summary of these updates in this section.
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=== Mechanisms in GEOS-Chem v9-01-03 and prior versions ===
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In GEOS-Chem v9-01-03, users could select from one of four pre-defined chemistry mechanisms:
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{| border=1 cellspacing=0 cellpadding=5
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|-bgcolor="#CCCCCC"
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!width="100px"|Mechanism
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!width="500x"|Description
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!width="175px"|Nickname
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!width="150px"|Solvers
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|-valign="top"
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|[[NOx-Ox-HC-aerosol|standard]]
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|
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*NOx-Ox-hydrocarbon-aerosol species
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*PLUS [[Bromine chemistry mechanism|bromine species]]
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|Full-chemistry,<br>fullchem
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|
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*SMVGEAR
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*KPP
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|-valign="top"
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|[[Secondary organic aerosols|SOA]]
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|
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*NOx-Ox-hydrocarbon-aerosol species
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*PLUS secondary organic aerosol species
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|SOA
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|
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*SMVGEAR
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*KPP-
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|-valign="top"
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|[[Dicarbonyls simulation|Dicarbonyls]]
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|
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*NOx-Ox-hydrocarbon-aerosol species
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*PLUS dicarbonyl species
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|Dicarbonyls
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*SMVGEAR only
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|-valign="top"
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|[[New isoprene scheme|isoprene]]
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|
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*NOx-Ox-hydrocarbon-aerosol species
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*PLUS isoprene oxidation products
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|Caltech isoprene scheme,<br>Paulot isoprene scheme
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|
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*SMVGEAR
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*KPP
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|}
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The [[Bromine chemistry mechanism|bromine tracers and species]] were added to the standard mechanism just prior to the release of [[GEOS-Chem v9-01-03]].
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-[[User:Bmy|Bob Y.]] 17:00, 30 September 2013 (EDT)
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=== Mechanisms in GEOS-Chem v9-02 and later versions ===
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Several modifications were made to the [[#Mechanisms in GEOS-Chem v9-01-03 and prior versions|above-mentioned chemistry mechanisms]] in [[GEOS-Chem v9-02]], as listed below:
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{| border=1 cellspacing=0 cellpadding=5
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|-bgcolor="#CCCCCC"
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!width="100px"|Mechanism
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!width="500px"|Description
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!width="175px"|Nickname
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!width="150px"|Solvers
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|-valign="top"
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|[[NOx-Ox-HC-aerosol|standard]]
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|
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*[[NOx-Ox-HC-aerosol|NOx-Ox-hydrocarbon-aerosol]] species
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*PLUS [[Bromine chemistry mechanism|bromine species]]
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*PLUS [[Updating_standard_chemistry_with_JPL_10-6|Updates to inorganic chemistry reactions (cf. JPL 10-6)]]
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*PLUS [[Methyl peroxy nitrate chemistry]]
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*PLUS [[New isoprene scheme|Isoprene oxidation species chemistry (aka "Caltech isoprene scheme")]]
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*PLUS [[New_isoprene_scheme#Update_One_-_RO2.2BHO2_Reaction_Rate|Fix RO2+HO2 rate constant]]
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*PLUS [[New_isoprene_scheme#NO3_aerosol_reactive_uptake_coefficient|Increase of NO3 uptake by aerosol]]
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*PLUS [[NOx-Ox-HC-aerosol#Removal_of_NOx_and_Ox_partitioning|Removal of NOx and Ox partitioning]]
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*PLUS [[ChemTelecon20111202|Inhibition of N2O5 uptake by nitrate aerosol]]
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*PLUS [[NOx-Ox-HC-aerosol#Improved_HO2_uptake|Improved HO2 uptake by aerosol]]
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|Full-chemistry,<br>fullchem
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|
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*SMVGEAR
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*KPP
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|-valign="top"
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|[[Secondary organic aerosols|SOA]]
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|
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*Everything in the "standard" simulation listed above
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*PLUS Updated SOA species
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*PLUS [[Secondary_organic_aerosols#SOA_simulation_with_semi-volatile_POA|Semi-volatile primary organic aerosol (OPTIONAL)]]
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|SOA
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|
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*SMVGEAR
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*KPP-
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|-valign="top"
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|[[Dicarbonyls simulation|Dicarbonyls]]
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|
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*NOx-Ox-hydrocarbon-aerosol species
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*PLUS dicarbonyl species
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|Dicarbonyls
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|
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*SMVGEAR only
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|}
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Starting with v9-02, family tracers (NOx, Ox) have now been removed from all GEOS-Chem mechanisms.  The individual family members (NO, NO2, O3, etc.) are now carried as individual advected tracers and chemical species.  Also, the isoprene mechanism from v9-01-03 now has been folded into the standard mechanism.
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--[[User:Bmy|Bob Y.]] 09:56, 1 October 2013 (EDT)
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=== Chemistry mechanisms in GEOS-Chem v10 ===
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We propose adding the [[UCX chemistry mechanism|'''Unified tropospheric-stratospheric Chemistry eXtension''' (UCX) mechanism]] into the release following v9-02.  UCX, which was developed by Steven Barrett's group (the [http://lae.mit.edu MIT Laboratory for Aviation and the Environment]), combines the existing GEOS-Chem [[NOx-Ox-HC-aerosol|"standard" mechanism]] (based on [[GEOS-Chem v9-01-03|v9-01-03]]) with several new stratospheric species and reactions.
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Because UCX will be a major update to GEOS-Chem, we propose naming the version in which it ships to GEOS-Chem v10-01.  This will make it easier to denote versions that contain UCX from versions that do not.
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--[[User:Bmy|Bob Y.]] 10:04, 1 October 2013 (EDT)
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=== Solvers ===
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Latest revision as of 15:32, 21 May 2024