Extrapolation techniques used in the solution of stiff odes associated with chemical kinetics of air quality models
- Creators
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Dabdub, Donald
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Seinfeld, John H.
Abstract
The solution of chemical kinetics is generally the most computationally intensive step in atmospheric air quality models. The incorporation of ever more complex chemical mechanisms and physicochemical phenomena into these models stimulates the search for more accurate and efficient numerical ODE integration methods. We report here on a new method based on Richardson extrapolation to solve the chemical kinetics in air quality models. The extrapolation method presents high accuracy consistently for wide ranges of ROG/NOₓ ratios. The method is robust during sunrise and sunset transitions, when the rate of change of concentrations of a number of photochemically driven species is the greatest. In addition, the extrapolation algorithm is one of the most efficient computationally tested.
Additional Information
This work was supported in part by a grant from the IBM Environmental Research Program. Any opinions, findings and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the IBM corporation. The information in this document has been funded in part by the United States Environmental Protection Agency High Performance Computing and Communication Program under cooperative agreement CR 822051-01-0.Additional details
- Eprint ID
- 119565
- Resolver ID
- CaltechAUTHORS:20230228-569576900.3
- IBM Environmental Research Program
- CR 822051-01-0
- Environmental Protection Agency (EPA)
- Created
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2023-02-28Created from EPrint's datestamp field
- Updated
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2023-02-28Created from EPrint's last_modified field