Mark List

No species are marked.

CRI Help page

Browse

The Browse facility enables the user to look through the CRI mechanism by VOC species category. All the primary VOCs are listed by category along with an inorganic chemistry section. Listings are also provided for the generic rate coefficients used throughout the CRI mechanism, including the photolysis rate parameterisations for the organic compounds. Any combination of the primary VOC species can be selected, via the check boxes appearing to the left of each VOC, and it is possible to select all the VOCs via the “check all” button at the top of the list. The buttons to the right of the page allow the selected VOCs to be added to the Mark List to facilitate complete mechanism extraction later. Also provided here are options to allow the VOC subsets in reductions R1-R5 (described by Watson et al., 2008) to be added to the mark list.

Search

The Search function allows the user to search the CRI mechanism for specific compounds and their degradation mechanisms, via the CRI species name. Where the species possesses a unique structure, the search results will return the structure of the species and the designated CRI species name. If the CRI species name is then clicked, the user is led to its degradation scheme. Each individual reaction within the reaction listing displays its rate coefficient and branching ratio as well as reactant and product structural information. Any generic rate coefficients and photolysis rates are directly linked to the appropriate table which lists the equations and parameters used to calculate their value. Each reaction product’s degradation scheme can be accessed in a similar fashion by clicking on its CRI species name. Also individual reactants and products have an associated “mark” button so that they can be added to (and displayed in) the Mark List for complete mechanism extraction later.

If the CRI species name is then clicked, the user is led to its degradation scheme. Each individual reaction within the reaction listing displays its rate coefficient and branching ratio as well as reactant and product structural information. Any generic rate coefficients and photolysis rates are directly linked to the appropriate table which lists the equations and parameters used to calculate their value. Each reaction product’s degradation scheme can be accessed in a similar fashion by clicking on its CRI species name. Also individual reactants and products have an associated “mark” button so that they can be added to (and displayed in) the Mark List for complete mechanism extraction later.

Extract

The Extract web-tool can extract complete subset mechanisms of the CRI mechanism for the species listed in the Mark List. The extractions can be in various formats including FACSIMILE, KPP , FORTRAN, and XML , therefore making the CRI mechanism more accessible to an increasingly wide range of modellers. New extraction output formats will continue to be developed through the interaction with the user community.


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