The Direct Constrained Approximate Lumping (DCAL) Method as a Tool for Developing and Evaluating Condensed Atmospheric Photochemical Mechanisms

摘要

Atmospheric chemistry mechanisms are one of the most computationally intensive components of photochemical air quality simulation models (PAQSMs). The development of a photochemical mechanism to be used in PAQSMs that can accurately describe atmospheric chemistry and also is computationally efficient, is a difficult undertaking that has traditionally been pursued through semi-empirical ("diagnostic") lumping approaches. A problem associated with these approaches, which attempt to maintain a balance between chemical detail and mechanism length, is the in-accuracy arising from optimizing the lumped mechanism to fit a specific species concentration profile.