Photochemical Numerics for Global-Scale Modeling: Fidelity and GCM Testing

Abstract

Atmospheric photochemistry lies at the heart of global-scale pollution problems, but it is a nonlinear system embedded in nonlinear transport and so must be modeled in three dimensions. Total earth grids are massive and kinetics require dozens of interacting tracers, taxing supercomputers to their limits in global calculations. A matrix-free and noniterative family scheme is described that permits chemical step sizes an order of magnitude or more larger than time constants for molecular groupings, in the 1-h range used for transport. Families are partitioned through linearized implicit integrations that produce stabilizing species concentrations for a mass-conserving forward solver. The kinetics are also parallelized by moving geographic loops innermost and changes in the continuity equations are automated through list reading. The combination of speed, parallelization, and automation renders the programs naturally modular. Accuracy lies within 1% for all species in week-long fidelity tests. A 50-species, 150-reaction stratospheric module tested in a spectral GCM benchmarks at 10 min CPU time per day and agrees with lower-dimensionality simulations. Tropospheric nonmethane hydrocarbon chemistry will soon be added, and inherently three-dimensional phenomena will be investigated both decoupled from dynamics and in a complete chemical GCM