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Integrated uncertainty quantification and sensitivity analysis of single-component dynamic column breakthrough experiments
Adsorption ( IF 3.3 ) Pub Date : 2022-05-14 , DOI: 10.1007/s10450-022-00361-z
Adam Ward , Ronny Pini

We have carried out the traditional analysis of a set of dynamic breakthrough experiments on the \(\hbox {CO}_2\)/He system adsorbing onto activated carbon by fitting a 1D dynamic column breakthrough model to the transient experimental profiles. We have quantified the uncertainties in the fitted model parameters using the techniques of Bayesian inference, and have propagated these parametric uncertainties through the dynamic model to assess the robustness of the modelling. We have found significant uncertainties in the outlet mole fraction profile, internal temperature profile and internal adsorption profiles of approximately \(\pm 15\%\). To assess routes to reduce these uncertainties we have applied a global variance-based sensitivity analysis to the dynamic model using the Sobol method. We have found that approximately \(70\%\) of the observed variability in the modelling outputs can be attributed to uncertainties in the adsorption isotherm parameters that describe its temperature dependence. We also make various recommendations for practitioners, using the developed Bayesian statistical tools, regarding the choice of the isotherm model, the choice of the fitting data for the extraction of system specific parameters and the simplification of the wall energy balance.



中文翻译:

单组分动态色谱柱突破实验的集成不确定度量化和灵敏度分析

我们通过将一维动态柱突破模型拟合到瞬态实验曲线,对活性炭上吸附的\(\hbox {CO}_2\) /He 系统进行了一组动态突破实验的传统分析。我们使用贝叶斯推理技术量化了拟合模型参数中的不确定性,并通过动态模型传播了这些参数不确定性以评估建模的稳健性。我们发现出口摩尔分数分布、内部温度分布和内部吸附分布存在很大的不确定性,大约为\(\pm 15\%\). 为了评估减少这些不确定性的路线,我们使用 Sobol 方法对动态模型应用了基于全局方差的敏感性分析。我们发现,在建模输出中观察到的大约\(70\%\)可变性可归因于描述其温度依赖性的吸附等温线参数的不确定性。我们还使用开发的贝叶斯统计工具为从业者提出各种建议,包括等温线模型的选择、用于提取系统特定参数的拟合数据的选择以及壁面能量平衡的简化。

更新日期:2022-05-14
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