非饱和多孔介质中蒸发驱动同位素分馏的实验和模拟数据分析

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2024-07-15 DOI:10.1002/vzj2.20363
Jana Schneider, Stefanie Kiemle, K. Heck, Y. Rothfuss, I. Braud, Rainer Helmig, J. Vanderborght
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引用次数: 0

摘要

稳定的水同位素可以为了解蒸发过程提供有价值的信息。在非常干燥的土壤条件下,从同位素浓度深度剖面图中识别蒸发前沿尤为重要。我们比较了描述干燥非饱和多孔介质中同位素迁移的两种不同模型:SiSPAT-Isotope 和 DuMux。在 DuMux 中,介质可以完全干燥,而在 SiSPAT-Isotope 中,干燥仅限于残余水饱和度。我们评估了残余水饱和度对模拟同位素浓度的影响。在残余水饱和度较低的情况下,两种模型模拟的同位素浓度相似。在残余水饱和度较高的情况下,SiSPAT-Isotope 模拟的同位素浓度要比 DuMux 低得多。这归因于 SiSPAT-Isotope 中的残余水对同位素浓度变化的缓冲作用,以及 DuMux 中残余水蒸发造成的额外富集。此外,我们还对高频实验数据和模型模拟进行了比较。我们发现,要再现观测到的蒸发前沿下移和相关的同位素富集峰值,就必须正确表示层状边界层和干化表层土壤中的扩散传输过程。人为增加边界层厚度以再现蒸发率的下降,会导致对蒸发锋面位置和同位素浓度分布的错误模拟。
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Analysis of experimental and simulation data of evaporation‐driven isotopic fractionation in unsaturated porous media
Stable water isotopologs can add valuable information to the understanding of evaporation processes. The identification of the evaporation front from isotopolog concentration depth profiles under very dry soil conditions is of particular interest. We compared two different models that describe isotopolog transport in a drying unsaturated porous medium: SiSPAT‐Isotope and DuMux. In DuMux, the medium can dry out completely whereas in SiSPAT‐Isotope, drying is limited to the residual water saturation. We evaluated the impact of residual water saturation on simulated isotopic concentration. For a low residual water saturation, both models simulated similar isotopolog concentrations. For high residual water saturation, SiSPAT‐Isotope simulated considerably lower concentrations than DuMux. This is attributed to the buffering of changes in isotopolog concentrations by the residual water in SiSPAT‐Isotope and an additional enrichment due to evaporation of residual water in DuMux. Additionally, we present a comparison between high‐frequency experimental data and model simulations. We found that diffusive transport processes in the laminar boundary layer and in the dried‐out surface soil layer need to be represented correctly to reproduce the observed downward movement of the evaporation front and the associated peak of isotopolog enrichment. Artificially increasing the boundary layer thickness to reproduce a decrease in evaporation rate leads to incorrect simulation of the location of the evaporation front and isotopolog concentration profile.
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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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