External Resources¶
GENOA works alongside or uses input from several external tools and models.
These resources are useful for preparing input mechanisms, running box model simulations, or estimating species properties.
Detailed mechanisms¶
GENOA supports detailed mechanisms as input for reduction, including the Master Chemical Mechanism (MCM) in FACSMILES format and mechanisms generated by GECKO-A. Other mechanisms with similar formats can also be adapted.
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Master Chemical Mechanism (MCM)
A near-explicit chemical mechanism describing the atmospheric degradation of volatile organic compounds. Its website povides reaction and species files that can be used as reference or starting-point mechanisms for GENOA reductions.
Note: Some kinetic parameters may require manual adjustment to ensure compatibility with the GENOA format, as MCM updates may postdate the last GENOA release.
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Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A)
A fully explicit chemical mechanism generator that produces detailed chemical schemes and provides kinetic and thermodynamic properties for generated species and reactions. GENOA v3 supports mechanisms generated by GECKO-A generator v1.0.
For more information on the GECKO-A mechanism generator, visit GECKO-A at NCAR/ACOM or GECKO-A at LISA.
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SAPRC MECHanism GENeration system (MechGen)
A fully explicit atmospheric mechanism generator conceptually similar to GECKO-A. While GENOA does not yet natively process MechGen outputs, it serves as a valuable reference for structure–activity–based mechanism generation and may be supported in future releases.
For more information, visit the MechGen website or its GitHub repository.
Box models¶
GENOA is coupled with box models for testing and evaluation.
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A modular 0-D box model that represents the physicochemical transformations of aerosols in the troposphere.
The model treats both particles and their surrounding gas phase, with configurable levels of physical and chemical complexity.GENOA v2 couples with SSH-Aerosol v1.3, while GENOA v3 supports SSH-Aerosol v2.0 and later.
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A detailed 0-D chemical box model designed for explicit mechanisms generated by GECKO-A.
GENOA v3 includes an integrated coupling to the GECKO-A Box Model v1.0.
Property estimation¶
GENOA can use properties directly from the input mechanism or calculate them from species SMILES strings using UManSysProp.
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A tool for estimating physical and chemical properties of species from SMILES strings, supporting mechanism interpretation and aerosol property analysis. GENOA employs UManSysProp v1.04 for property estimation.