On the numerical treatment of problems in atmospheric chemistry

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Atmospheric chemical-radiative-transport (CRT) models are vital in performing research on atmospheric chemical change. Even with the enormous computing capability delivered by massively parallel systems, extended three dimensional CRT simulations are still not computationally feasible. The major obstacle in a CRT model is the nonlinear ODE system describing the chemical kinetics in the model. These ODE systems are usually very stiff and account for anywhere from 75% to 90% of the CPU time required to run a CRT model. In this study, a simple explicit class of time stepping method is developed and demonstrated to be useful in treating chemical ODE ... continued below

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127 p.

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Aro, C.J. September 1, 1995.

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Atmospheric chemical-radiative-transport (CRT) models are vital in performing research on atmospheric chemical change. Even with the enormous computing capability delivered by massively parallel systems, extended three dimensional CRT simulations are still not computationally feasible. The major obstacle in a CRT model is the nonlinear ODE system describing the chemical kinetics in the model. These ODE systems are usually very stiff and account for anywhere from 75% to 90% of the CPU time required to run a CRT model. In this study, a simple explicit class of time stepping method is developed and demonstrated to be useful in treating chemical ODE systems without the use of a Jacobian matrix. These methods, called preconditioned time differencing methods, are tested on small mathematically idealized problems, box model problems, and full 2-D and 3-D CRT models. The methods are found to be both fast and memory efficient. Studies are performed on both vector and parallel systems. The preconditioned time differencing methods are established as a viable alternative to the more common backward differentiation formulas in terms of CPU speed across architectural platforms.

Physical Description

127 p.

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OSTI as DE96002137

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  • Other Information: TH: Thesis (Dr. of Philosophy)

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  • Other: DE96002137
  • Report No.: UCRL-LR--122088
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 125384
  • Archival Resource Key: ark:/67531/metadc624876

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

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  • September 1, 1995

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  • June 16, 2015, 7:43 a.m.

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  • Aug. 8, 2016, 8:53 p.m.

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Aro, C.J. On the numerical treatment of problems in atmospheric chemistry, thesis or dissertation, September 1, 1995; United States. (digital.library.unt.edu/ark:/67531/metadc624876/: accessed October 24, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.