附带分散式运输的组合替代模型与柱子漏试验的粒子内扩散模型
Amirhossein Ershadi1, Michael Finkel1, Binlong Liu1
1Department of Geosciences, University of Tübingen, Schnarrenbergstraße 94-96, 72076 Tübingen, Germany.
Journal of contaminant hydrology
|September 24, 2024
概括
研究人员开发了快速组合替代模型,以预测土壤和废物中的污染物出. 这些模型准确地估计了环境风险,改善了建筑物中材料的再利用.
科学领域:
- 环境科学 环境科学
- 地质化学 地质化学
- 计算建模 计算建模
背景情况:
- 柱子漏试验评估了受污染的土壤和建筑中重复使用的废物材料的环境风险.
- 污染物运输涉及复杂的溶液动力学和质量转移,通常需要计算密集的数值模型.
- 反向建模和灵敏度分析是耗时的,特别是详细的吸附动力学,如粒子内部扩散.
研究的目的:
- 开发计算效率高的替代模型,用于柱子泄漏测试.
- 准确模拟复杂的溶液运输和质量转移动态.
- 为了使环境风险评估的反向建模和参数估计更快.
主要方法:
- 开发了两个集合代用模型:随机森林堆叠和反向距离加权插值.
- 使用极端随机的树木 (ExtraTrees) 作为基础替代模型.
- 采用适应性采样,并使用开采和勘探的标准来优化模型.
- 应用基于模拟的推理 (神经后部估计) 用于参数分布估计.
主要成果:
- 集合代用模型准确地模拟了原始的数值模型,其相对根的平均平方误差为0.09.
- 该模型使用基于模拟的推理成功估计了完整的后方参数分布.
- 后部分布样本与代用模型和原始模型观察到的铜漏数据完全一致.
结论:
- 集成替代模型为列泄漏测试提供了传统数值模型的计算效率高的替代方案.
- 这些模型准确地预测了污染物漏行为和环境风险.
- 该方法促进了可靠的参数估计,增强了建筑中受污染的土壤和废物材料的安全再利用.
相关概念视频
01:07Diffusion on Chromatography Columns
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In column chromatography, when an analyte is introduced as a narrow band at the top of the column, the solutes begin to separate and broaden, developing a Gaussian profile. This broadening occurs due to various factors, such as longitudinal diffusion.
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Longitudinal diffusion occurs when the solute molecules in the mobile phase diffuse from the more concentrated center of the chromatographic band to the more dilute regions on either side, both towards and against the flow direction. This...
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01:12Column Efficiency: Rate Theory
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The rate theory of chromatography provides quantitative insight into the shapes and widths of elution bands. These bands are based on the random-walk mechanism governing molecular migration within a column. The Gaussian profile of chromatographic bands arises from the cumulative effect of random molecular motions as they progress through the column.
During elution, a solute molecule experiences numerous transitions between stationary and mobile phases, exhibiting irregular residence times in...
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01:09Analyte Adsorption and Distribution
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In certain chromatographic separations, solutes transfer between the mobile phase and the stationary phase via sorption, which typically refers to the process of adsorption. For many chromatographic systems, the sorption process often depends on the polarity of the compounds—an expression of the overall dipole moment within the molecule. During the separation process, there is competition between the solute and solvent for adsorption to the stationary phase. Highly polar compounds and...
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