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Vinuesa & Porté-Agel 2005
Vinuesa, J.-F. and Porté-Agel, F. (2005). A dynamic similarity subgrid model for chemical transformations in large-eddy simulation of the atmospheric boundary layer. Geophysical Research Letters 32: doi: 10.1029/2004GL021349. issn: 0094-8276.

In large-eddy simulations (LESs) of atmospheric reacting flows, homogeneous and instantaneous mixing of reactants within a grid-cell is usually assumed. However, highly reactive species are often segregated or pre-mixed at small scales. In this paper, we propose a parameterization to account for the effect of the unresolved scales on the chemical transformations. Its formulation relies on the description of the subgrid unresolved reactant covariance as a function of the resolved covariance by using scale-similarity arguments. A dynamic procedure is used to compute the model coefficient from the resolved reactant concentration fields, therefore not requiring any parameter specification or tuning. In simulations of a convective boundary layer with a fast second-order reaction, using the new model is found to perform better than ignoring subgrid chemistry effects.

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Abstract

Keywords
Atmospheric Composition and Structure, Troposphere, composition and chemistry, Atmospheric Processes, Atmospheric electricity, Atmospheric Processes, Global climate models (1626, 4928), Atmospheric Processes, Turbulence
Journal
Geophysical Research Letters
http://www.agu.org/journals/gl/
Publisher
American Geophysical Union
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