Chemical mechanism

Following the example of CHIMERE, a chemical scheme for LMDz-SACS is defined in 10 text files. They are read in phylmd/init_chem.F90.

chemical_scheme.nml

This file contains the list of the files listing the active species, all species, prescribed species, species with 3D production and loss, the deposited species, the chemical reactions, the stoichiometric coefficients, the reaction rates, the information for photolysis rates, XXthe families?XX, the number of tracers, the total number of species, the number of prescribed species, the number of species with 3D production and loss, the number of deposited species, the number of reactions, the number of photolysis reactions.

fnacspec

Each line indicates the name of the species, its ID in the initial conditions (restart file), its molar mass (kg).

fnallspec

Each line contains the name of the species and its type. Type can be:

• ‘ac’ for an active species i.e. a tracer

• ‘pr’ for a prescribed species.

fnprescr

If not empty XX possible? XX, each line gives the name of a precribed species.

fnprodl

If not empty XX possible?XX, each line gives the name of a species with 3D production and loss fields.

fndep

If not empty XX possible?XX, each line gives the name of a deposited species.

fnchem

Each line contains information on a chemical reaction, with columns for the number of reactants, the list of the names of these reactants, the number of products, the list of the names of these products.

fnstoi

If not empty XXpossible?XX, each line gives the name of a reactant species, a stoichiometric coefficient and the number of the reaction (as in fnchem) in which the stoichiometry of the species applies.

fnfamilies

Not used yet.

** Remark ** the names of the species must be consistent throughout all the files. This is garanteed when using the CIF pre-processor to generate a chemical scheme. When building a chemical scheme without this pre-processor, check carefully the consistency of all names.

fnrates

Each line contains information on a chemical reaction, in the same order as fnchem, with columns for the type of kinetics rate, which matches the place in ltabrate at which the number of tabulated values to read is provided, and the various tabulated values required for this type of rate.

fnjrates

If not empty XX possible?XX, each line gives the number of a photolysis reaction XXin fnchem??XX and the XXID of the photolysis rate to read???XXX