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Published October 2014 | public
Journal Article

Insight into the numerical challenges of implementing 2-dimensional SOA models in atmospheric chemical transport models


The new generation of secondary organic aerosol (SOA) models that represent gas- and particle-phase chemistry and thermodynamic partitioning using discrete two-dimensional grids (e.g. SOM, 2D-VBS) cannot be efficiently implemented into three-dimensional atmospheric chemical transport models (CTMs) due to the large number of bins (tracers) required. In this study, we introduce a novel mathematical framework, termed the Oxidation State/Volatility Moment Method, that is designed to address these computational burdens so as to allow the new generation of SOA models to be implemented into CTMs. This is accomplished by mapping the two-dimensional grids onto probability distributions that conserve carbon and oxygen mass. Assessment of the Moment Method strengths (speed, carbon and oxygen conservation) and weaknesses (numerical drift) provide valuable insight that can guide future development of SOA modules for atmospheric CTMs.

Additional Information

© 2014 Elsevier Ltd. Received 4 February 2014. Received in revised form 23 July 2014. Accepted 28 July 2014. Available online 30 July 2014. This work was supported by U.S. Department of Energy grant DE-SC0006626.

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October 18, 2023