A simple box model is included as an example of how to incorporate AutoChem v8.00 in a large 2D or 3D modeling framework. The source code for the box model is fully documented here. The control file is described here.
Basically all that is required is the initialization of the parameters used to determine the rate coeffecients once only at the start of the code. Then within the time loop the temperature and pressure are used to calculate the bi- and trimolecular rate coeffecients. The local solar time, day of the year, and latitude are used to calculate the solar zenith angle and then the photolysis rate coeffecients. The aerosol surface area are used to calculate the heterogeneous rate coeffecients. The box model as supplied is meant to be an example which can be modified for your own applications.
To compile and run the box model use:
make -f makefile.box clean; make -f makefile.box; ./box
Note: To compile the box model on another system just make sure that the double precision option is set to automatically prompote all real values to double precision (this is often the -r8 option).