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Extrapolation techniques used in the solution of stiff odes associated with chemical kinetics of air quality models

Dabdub, Donald and Seinfeld, John H. (1995) Extrapolation techniques used in the solution of stiff odes associated with chemical kinetics of air quality models. Atmospheric Environment, 29 (3). pp. 403-410. ISSN 1352-2310. doi:10.1016/1352-2310(94)00282-p.

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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.

Item Type:Article
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URLURL TypeDescription
Dabdub, Donald0000-0002-5130-4122
Seinfeld, John H.0000-0003-1344-4068
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.
Funding AgencyGrant Number
IBM Environmental Research ProgramUNSPECIFIED
Environmental Protection Agency (EPA)CR 822051-01-0
Issue or Number:3
Record Number:CaltechAUTHORS:20230228-569576900.3
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:119565
Deposited By: Tony Diaz
Deposited On:28 Feb 2023 16:58
Last Modified:28 Feb 2023 16:58

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