Technique for atmospheric rate chemistry calculations

Abstract

The possibility that predictions of atmospheric photochemistry/transport models are sensitive to uncertainties in reaction rates and other inputs stresses the need for rapid numerical integration schemes in rate photochemistry problems. Reducing the computational burden has a major merit in facilitating sensitivity studies to assess the effect of uncertainties on predicted ozone diminutions from NOx (NO + NO2) in the exhaust plume of SST engines. The paper discusses the validity of an algorithmic approach to integration of rate chemistry problems in combustion, developed by Rubel and Baronti for an approximate calculation of the production rate of the i-th chemical species involved. An analysis of two projected SST engines confirms the validity of the proposed algorithm. Because of the relative arithmetical simplicity, it may be easier to treat diffusion rate chemistry calculations using the Rubel and Baronti approximation than would be possible by other approaches.