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Kinetics of contaminant desorption from soil: Comparison of model formulations using the akaike information criterion

机译:污染物从土壤中解吸的动力学:使用akaike信息准则比较模型配方

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Desorption of organic contaminants from soil can be modeled by dividing the desorption time-concentration profile into three distinct regimes. These are characterized by desorption that occurs faster than the experimental sampling scheme, at a rate that is captured by it, and at a rate for which the duration of the experiment and data uncertainty obscures the rate. Batch desorption curves for atrazine and naphthalene on four soils were experimentally generated to demonstrate the existence of discrete observational desorption regimes. Nine mathematical models, each containing mechanisms formulated to describe at least one of the three regimes, were fit to each contaminant-soil combination using the Gauss-Newton method for parameter estimation. Each of the nine models was ranked using the small-sample-corrected Akaike information criterion (AIC(c)). By interpretation of the AICc values, the atrazine desorption data were best described by three regimes, while the naphthalene desorption data were best described by two regimes. Furthermore, for a given number of regimes, we could find no general basis to suggest that a particular type of rate model (chemical, physical, kinetic, or statistical) is intrinsically superior over another.
机译:通过将解吸时间-浓度曲线分为三个不同的模式可以模拟土壤中有机污染物的解吸。它们的特征在于解吸的速度比实验采样方案快,其解吸速率快,并且实验持续时间和数据不确定性使解吸速率变得模糊。实验生成了阿特拉津和萘在四种土壤上的批次解吸曲线,以证明存在离散的观测解吸方案。使用Gauss-Newton方法进行参数估计,将九个数学模型(每种模型都包含描述三种状态中至少一种的机制)拟合到每种污染物-土壤组合。使用小样本校正的Akaike信息标准(AIC(c))对这9个模型中的每一个进行了排名。通过解释AICc值,可以用三种方案最好地描述the去津解吸数据,而可以通过两种方案最好地描述萘的解吸数据。此外,对于给定数量的方案,我们找不到通用的依据来建议一种特定类型的速率模型(化学,物理,动力学或统计)在本质上优于另一种。

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