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Numerical solution of the atmospheric diffusion equation for chemically reacting flows

McRae, Gregory J. and Goodin, William R. and Seinfeld, John H. (1982) Numerical solution of the atmospheric diffusion equation for chemically reacting flows. Journal of Computational Physics, 45 (1). pp. 1-42. ISSN 0021-9991. doi:10.1016/0021-9991(82)90101-2.

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A comprehensive study of numerical techniques for solving the atmospheric diffusion equation is reported. Operator splitting methods are examined in which the three-dimensional problem is converted into a sequence of one-dimensional problems. A Galerkin, linear finite element scheme with a nonlinear filter is found to be computationally superior to the other methods tested for the advection-diffusion components. The chemical reaction dynamics component, treated within the splitting scheme, is generally highly stiff. A second-order predictor, iterated corrector technique, in combination with an asymptotic treatment of the stiff components, is found to be computationally superior for the chemical kinetics. The validity of the pseudo steady state approximation for certain reactive species is also investigated.

Item Type:Article
Related URLs:
URLURL TypeDescription DOIArticle
Seinfeld, John H.0000-0003-1344-4068
Additional Information:© 1982 by Academic Press, Inc. Received May 15, 1981. This work was supported by the State of California Air Resources Board under Contracts A5-046-87 and A7-187-30. Additional funding was provided by a Department of Energy Institutional Grant EY-76- G-03-1305. The assistance of Dr. T. R. Young of the Naval Research Laboratory, and Dr. J. W. Tilden of the Environmental Quality Laboratory is appreciated.
Group:Environmental Quality Laboratory
Funding AgencyGrant Number
California Air Resources BoardA5-046-87
California Air Resources BoardA7-187-30
Department of Energy (DOE)EY-76-G-03-1305
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Environmental Quality LaboratoryA-71
Issue or Number:1
Record Number:CaltechAUTHORS:20140626-133334379
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Official Citation:Gregory J McRae, William R Goodin, John H Seinfeld, Numerical solution of the atmospheric diffusion equation for chemically reacting flows, Journal of Computational Physics, Volume 45, Issue 1, January 1982, Pages 1-42, ISSN 0021-9991, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:46533
Deposited By: Tony Diaz
Deposited On:01 Jul 2014 19:33
Last Modified:10 Nov 2021 17:27

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