{"title":"Transformation and Leaching Simulation of 6:2 and 8:2 diPAP and Related Metabolites in Unsaturated Soil Column Studies with MACRO","authors":"Eva Weidemann, Matthias Gassmann","doi":"10.1007/s10666-023-09936-8","DOIUrl":null,"url":null,"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.","PeriodicalId":50515,"journal":{"name":"Environmental Modeling & Assessment","volume":null,"pages":null},"PeriodicalIF":2.7000,"publicationDate":"2023-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Environmental Modeling & Assessment","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1007/s10666-023-09936-8","RegionNum":4,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENVIRONMENTAL SCIENCES","Score":null,"Total":0}
引用次数: 0
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.
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.