The choice of a chemical equation solver for a three-dimensional
atmospheric model ultimately comes down to a tradeoff between speed and
confidence in the accuracy of the code under a variety of conditions. Early
codes that treated chemical kinetics in 3-D included family chemistry schemes,
implicit or analytical schemes with a limited number of interations, and
hybrid schemes that combined family techniques and implicit/analytical
techniques. These codes were often compared with Gear's code in a box model
for accuracy under certain conditions, then applied to a variety of conditions
in the atmosphere. Gear's code, itself, was not applicable to 3-D atmospheric
studies prior to 1993, since the original code required too many computations
in matrix calculations and too much overhead iterating in one grid cell
at a time. Since then, Gear's code has been improved in terms of its speed
and applied in 3-D on regional and global scales, reducing the accuracy
problem that plagued many early codes. At the same time, gas chemistry
is no longer the limiting factor in many models; hence, the use of an intense
integrator is not so problematic as it once was. In the 1990s, other
accurate integrators aside from Gear's method were also improved or developed,
but few have been applied in practice to 3-D. Several hybrid schemes
have also been improved and used in 3-D, but many such schemes have not
undergone stringent accuracy tests under a variety of conditions needed
to maintain confidence in their calculations, or the errors are recognized
and accepted. This talk will discuss some of the chemical integrators available
in atmospheric models and the application of a Gear-type code modified
in terms of its speed and used to solve regional and global 3-D atmospheric
chemistry problems for the past seven years. The performance of Gear-type
code on scalar and vector computers will also be discussed.
Other solver techniques, including the approaches of Sandu et al and Hertel
et al will be outlined.