{"title":"通过数值模拟深入了解污染物释放曲线的相似性与平衡程度之间的关系。","authors":"Yukari Imoto","doi":"10.1016/j.jconhyd.2024.104451","DOIUrl":null,"url":null,"abstract":"<div><div>The assumption of local equilibrium, especially in test standards for assessing the leaching of hazardous substances from materials, is crucial for the use of test results and the robustness of testing. However, previous studies of contact time conditions in percolation test standard have evaluated equilibrium and robustness separately. Therefore, this study tests the assumption of local equilibrium in the up-flow percolation test, standardized as ISO 21268-3 in 2019, and discusses the relationship between the similarity of test results and degree of equilibrium. Thus, we conducted approximately 6000 numerical simulations in total with varying leaching parameters to determine breakthrough curves (BTCs) for the substances investigated by the test standard. The results showed that the two BTCs for the longest and shortest contact time conditions within the standard test were identical over a wide range of parameters, supporting the robustness of the standard test. Interestingly, identical BTCs occur in equilibrium or near-equilibrium and nonequilibrium leaching. This finding indicates the need to reconsider the conventional interpretation that equilibrium is reached when test results with different contact time conditions appear identical and encourages efforts to develop procedures to verify equilibrium leaching.</div></div>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":null,"pages":null},"PeriodicalIF":4.3000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Insight into the relationship between similarity and the degree of equilibrium of contaminant release curves through numerical simulations\",\"authors\":\"Yukari Imoto\",\"doi\":\"10.1016/j.jconhyd.2024.104451\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The assumption of local equilibrium, especially in test standards for assessing the leaching of hazardous substances from materials, is crucial for the use of test results and the robustness of testing. However, previous studies of contact time conditions in percolation test standard have evaluated equilibrium and robustness separately. Therefore, this study tests the assumption of local equilibrium in the up-flow percolation test, standardized as ISO 21268-3 in 2019, and discusses the relationship between the similarity of test results and degree of equilibrium. Thus, we conducted approximately 6000 numerical simulations in total with varying leaching parameters to determine breakthrough curves (BTCs) for the substances investigated by the test standard. The results showed that the two BTCs for the longest and shortest contact time conditions within the standard test were identical over a wide range of parameters, supporting the robustness of the standard test. Interestingly, identical BTCs occur in equilibrium or near-equilibrium and nonequilibrium leaching. This finding indicates the need to reconsider the conventional interpretation that equilibrium is reached when test results with different contact time conditions appear identical and encourages efforts to develop procedures to verify equilibrium leaching.</div></div>\",\"PeriodicalId\":3,\"journal\":{\"name\":\"ACS Applied Electronic Materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2024-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Applied Electronic Materials\",\"FirstCategoryId\":\"93\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0169772224001554\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENGINEERING, ELECTRICAL & ELECTRONIC\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Applied Electronic Materials","FirstCategoryId":"93","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0169772224001554","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
摘要
局部平衡的假设,尤其是在评估材料中有害物质沥滤的测试标准中,对于测试结果的使用和测试的稳健性至关重要。然而,以往对渗滤测试标准中接触时间条件的研究是将平衡和稳健性分开评估的。因此,本研究测试了 2019 年标准化为 ISO 21268-3 的上流式渗滤测试中的局部平衡假设,并讨论了测试结果的相似性与平衡程度之间的关系。因此,我们总共进行了约 6000 次不同浸出参数的数值模拟,以确定测试标准所研究物质的突破曲线(BTC)。结果表明,标准测试中接触时间最长和最短条件下的两条突破曲线在很大的参数范围内是相同的,这证明了标准测试的稳健性。有趣的是,在平衡或接近平衡和非平衡沥滤条件下会出现相同的 BTC。这一发现表明,有必要重新考虑传统的解释,即当不同接触时间条件下的测试结果看起来相同时,就已经达到了平衡,并鼓励人们努力开发验证平衡沥滤的程序。
Insight into the relationship between similarity and the degree of equilibrium of contaminant release curves through numerical simulations
The assumption of local equilibrium, especially in test standards for assessing the leaching of hazardous substances from materials, is crucial for the use of test results and the robustness of testing. However, previous studies of contact time conditions in percolation test standard have evaluated equilibrium and robustness separately. Therefore, this study tests the assumption of local equilibrium in the up-flow percolation test, standardized as ISO 21268-3 in 2019, and discusses the relationship between the similarity of test results and degree of equilibrium. Thus, we conducted approximately 6000 numerical simulations in total with varying leaching parameters to determine breakthrough curves (BTCs) for the substances investigated by the test standard. The results showed that the two BTCs for the longest and shortest contact time conditions within the standard test were identical over a wide range of parameters, supporting the robustness of the standard test. Interestingly, identical BTCs occur in equilibrium or near-equilibrium and nonequilibrium leaching. This finding indicates the need to reconsider the conventional interpretation that equilibrium is reached when test results with different contact time conditions appear identical and encourages efforts to develop procedures to verify equilibrium leaching.