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Numerical simulation of tropospheric ozone depletion in the polar spring

机译：极地春季对流层臭氧消耗的数值模拟

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摘要

This study addresses the modeling of the tropospheric ozone depletion event in polar spring where the aim is an improved understanding of the underlying physical and chemical processes. For this purpose, a model is developed and implemented into the open source software Open source Field Operations And Manipulations (OpenFOAM). A detailed chemical reaction mechanism is analyzed with the software package KInetic aNALysis of reaction mechanics (KINAL), and a skeletal mechanism is derived for use in the three-dimensional simulations. The 3D compressible Navier–Stokes equations are solved to predict the effect of turbulent mixing, advection of the fluid, and chemical reactions. Large eddy simulation accounts for the turbulence, and the Smagorinsky model is employed as sub-grid model. The temporal and spatial distributions of the chemical species are captured. The mixing ratio of ozone in the troposphere drops to a value near zero within several days including an “induction stage” and a “depletion stage,” which confirms previous findings. Moreover, the vertical turbulent mixing of air parcels occurs below the height of the polar boundary layer, leading to a nonuniform vertical distribution of the chemical species concentrations. Both the wind speed and the boundary layer stability may affect the boundary layer height, thus influencing the ozone depletion rate.
机译：这项研究致力于对极地春季对流层臭氧消耗事件的建模，其目的是更好地了解潜在的物理和化学过程。为此，开发了一个模型并将其实施到开源软件“开源现场操作和操纵”（OpenFOAM）中。详细的化学反应机理用软件包KInetic Analysis of Reaction Mechanics（KINAL）进行了分析，并导出了一个骨架机理，用于三维模拟。解决了3D可压缩的Navier-Stokes方程，以预测湍流混合，流体对流和化学反应的影响。大的涡流模拟说明了湍流，并且将Smagorinsky模型用作子网格模型。捕获化学物质的时间和空间分布。在对流层中，臭氧的混合比在几天之内下降到接近零的值，包括“诱导期”和“耗尽期”，这证实了先前的发现。此外，在垂直边界层的高度以下，发生了垂直的湍流混合，导致化学物质浓度的垂直分布不均匀。风速和边界层的稳定性都会影响边界层的高度，从而影响臭氧的消耗速度。

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