Abstract View
AMORE: Automated Mechanism Reduction in Atmospheric Chemistry
FORWOOD WISER, Siddhartha Sen, Daniel Westervelt, Daven Henze, Arlene Fiore, V. Faye McNeill, Columbia University
Abstract Number: 415
Working Group: Aerosol Chemistry
Abstract
There is a need for new approaches for the systematic reduction of complex atmospheric chemical mechanisms for use in large-scale models. We have developed the Columbia University Atmospheric Chemistry Model Reduction (AMORE) algorithm, an automated tool for flexibly generating accurate condensed chemical mechanisms. Using the principles of graph theory, without running the model, AMORE analyzes a reaction network and eliminates reaction pathways with throughputs that do not meet a specified threshold. Those pathways are discarded, along with species left unconnected to the rest of the network, until the desired model size or error tolerance is reached. Species of particular interest are protected from elimination. Inputs for AMORE are sampled from a range of conditions relevant to the continental U.S., generated using GEOS-Chem. We have applied AMORE to develop an updated condensed gas-phase isoprene oxidation mechanism and tested its performance against the full mechanism of Wennberg et al. (2018) in the photochemical box model, F0AM.