I am interested in adding new chemical species to CHEMMECH but prior to that I would like to assess the changes in concentration as a function of time only (i.e., a 0D boxmodel). Does CMAQ have a 0D boxmodel version available? I know that NCAR has one (BOXMOX) that could be used to simulate smog chamber experiments, for example. Something similar I would like to try for CMAQ before running 3D simulations with the modified chemical mechanism. I would appreciate any thoughts on this.
I don’t have a CMAQ specific box model (other than an occasional few lines of code that function as a box), but have been using F0AM (Wolfe et al. 2016 GMD) with the WAM extension (D’Ambro et al. 2017 ES&T) which are written in Matlab. They will allow you to do lots of calculations with easy visualization (see Glenn Wolfe’s GMD paper for examples of how it can be used). WAM allows you to do gas/particle semivolatile partitioning of organic species. F0AM comes prebuilt with several chemical mechanisms including cb6r2 (only slightly different than the cb6r3 in CMAQ). Since it is not in fortran, it could be used as a screening tool to determine what might be important to put in CMAQ or to answer some science questions, but it won’t serve to debug algorithms for CMAQ purposes.