The operation of Pick is determined by a control file called pick.ctl.
Reaction Selection Switch
The first line of the control file gives the reaction selection switch . This is an integer, if it is:
0 | either reactant(s) or product(s) is a required specie. |
1 | both reactant(s) or product(s) is a required specie. |
2 | product(s) is a required specie. |
3 | reactant(s) is a required specie. |
4 | both reactant(s) and all product(s) are a required specie. |
Reaction Rejection Switch
If the reaction selection switch is 1 then reactions with unknown products are rejected.
Reaction Databases
The remaining lines specify in pairs the input and output reaction databases. The input databases of a given reaction type are opened by pick. Those reactions that involve the list of chemical constituents specified by the user and that satisfy the reaction selection and rejection switches are selected and written to the output reaction database. The reaction database types are:
- Bimolecular
- Trimolecular
- Photolysis
- Heterogeneous
- Unimolecular heterogeneous
- Bulk-gas phase transfer
- Bulk phase bimolecular
- Cosmic ray processes
4 : Reaction select switch. 0=either reactant(s) or product(s) is a required specie. 1=both reactant(s) or product(s) is a required specie. 2=product(s) is a required specie. 3=reactant(s) is a required specie. 4=both reactant(s) and all product(s) are a required specie. 1 : Reject reactions with unknown products. 'geoschem-r-bi.d' : input bimolecular reaction file. 'react-bi.lst' : output bimolecular reaction file. 'geoschem-r-tri.d' : input trimolecular reaction file. 'react-tr.lst' : output trimolecular reaction file. 'geoschem-r-ph.d' : input photolysis reaction file. 'react-ph.lst' : output photolysis reaction file. 'v5_ac-het-2000.d' : input heterogeneous reaction file. 'react-h.lst' : output heterogeneous reaction file. 'v5_ac-uhet.d' : input unimolecular heterogeneous reaction file. 'react-uh.lst' : output unimolecular heterogeneous reaction file. 'v5_ac-trans.d' : input bulk-gas phase transfer file. 'react-trans.lst' : output bulk-gas phase transfer file. 'v5_ac-bulkbi.d' : input bulk phase bimolecular file. 'react-bulkbi.lst' : output bulk phase bimolecular file. 'v5_ac-cr.d' : input cosmic ray reaction file. 'react-cr.lst' : output cosmic ray reaction file.