Transformation and Leaching Simulation of 6:2 and 8:2 diPAP and Related Metabolites in Unsaturated Soil Column Studies with MACRO

IF 2.7 4区环境科学与生态学 Q3 ENVIRONMENTAL SCIENCES Environmental Modeling & Assessment Pub Date : 2023-10-14 DOI:10.1007/s10666-023-09936-8

Eva Weidemann, Matthias Gassmann

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Abstract

Abstract PFAS (perfluoroalkyl substances) are widespread in the environment and are found in almost every medium. Besides persistent PFAS, their transforming precursors gained attention since they may be a reservoir for persistent PFAS in soil. Only little information is available about the behavior of these precursors and the simultaneous leaching of their transformation products. However, this information is urgently needed to improve estimates of contamination levels. For this purpose, two precursors and their non-degradable metabolites were simulated using the MACRO model, with parameter values optimized using the evolutionary algorithm caRamel. A constant first-order transformation rate did not adequately represent the leaching of transformation products, but a variable transformation rate that decreased at the date of an equilibrium soil moisture provided a good representation of the precursor transformation and leaching of transformation products. The results are new evidence that variable environmental parameters such as soil moisture may affect the transformation rate of precursors. The simulation study is a step towards describing the behavior of PFAS precursors through physically-based models.

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6:2和8:2 diPAP及其相关代谢物在非饱和土柱中的转化和淋溶模拟

PFAS(全氟烷基物质)广泛存在于环境中，几乎存在于所有介质中。除了持久性PFAS外，它们的转化前体也受到关注，因为它们可能是土壤中持久性PFAS的储存库。关于这些前体的行为及其转化产物的同时浸出的信息很少。然而，迫切需要这些信息来改进对污染水平的估计。为此，使用MACRO模型模拟两种前体及其不可降解代谢物，并使用进化算法caRamel优化参数值。恒定的一阶转化速率不能充分代表转化产物的淋失，但在平衡土壤湿度时减小的可变转化速率可以很好地代表前体转化和转化产物的淋失。研究结果为土壤湿度等环境参数对前体转化速率的影响提供了新的证据。模拟研究是通过基于物理的模型描述PFAS前体行为的一步。

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来源期刊

Environmental Modeling & Assessment 环境科学-环境科学

CiteScore

4.50

自引率

4.20%

发文量

审稿时长

18-36 weeks

期刊介绍： Environmental Modeling & Assessment strives to achieve this by publishing high quality, peer-reviewed papers that may be regarded as either instances of best practice, or as studies that advance the evolution and applicability of the theories and techniques of modeling and assessment. Consequently, Environmental Modeling & Assessment will publish high quality papers on all aspects of environmental problems that contain a significant quantitative modeling or analytic component, interpreted broadly. In particular, we are interested both in detailed scientific models of specific environmental problems and in large scale models of the global environment. We invite models of environmental problems and phenomena that utilise, in an original way, the techniques of ordinary and partial differential equations, simulation, statistics and applied probability, control theory, operations research, mathematical economics, and game theory. Emphasis will be placed on the novelty of the model, the environmental relevance of the problem, and the generic applicability of the techniques used. Generally, papers should be written in a manner that is accessible to a wide interdisciplinary audience.