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首页> 外文期刊>Environmental toxicology and chemistry >GENERAL FUGACITY-BASED MODEL TO PREDICT THE ENVIRONMENTAL FATE OF MULTIPLE CHEMICAL SPECIES
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GENERAL FUGACITY-BASED MODEL TO PREDICT THE ENVIRONMENTAL FATE OF MULTIPLE CHEMICAL SPECIES

机译:基于一般脆弱性的模型来预测多种化学物种的环境命运

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摘要

A general multimedia environmental fate model is presented that is capable of simulating the fate of up to four interconverting chemical species. It is an extension of the existing equilibrium criterion (EQC) fugacity model, which is limited to single-species assessments. It is suggested that multispecies chemical assessments are warranted when a degradation product of a released chemical is either more toxic or more persistent than the parent chemical or where there is cycling between species, as occurs with association, disassociation, or ionization. The model is illustratively applied to three chemicals, namely chlorpyrifos, pentachlorophenol, and perfluorooctane sulfonate, for which multispecies assessments are advisable. The model results compare favorably with field data for chlorpyrifos and pentachlorophenol, while the perfluorooctane sulfonate simulation is more speculative due to uncertainty in input parameters and the paucity of field data to validate the predictions. The model thus provides a tool for assessing the environmental fate and behavior of a group of chemicals that hitherto have not been addressed by evaluative models such as EQC.
机译:提出了一种通用的多媒体环境命运模型,该模型能够模拟多达四个相互转换的化学物种的命运。它是现有均衡标准(EQC)逸度模型的扩展,该模型仅限于单物种评估。建议当释放的化学物质的降解产物比母体化学物质毒性更大或更持久时,或者在物种之间存在循环(如缔合,解离或电离)时,应进行多物种化学评估。该模型被说明性地应用于三种化学物质,即毒死rif,五氯苯酚和全氟辛烷磺酸盐,建议对其进行多物种评估。该模型的结果与毒死rif和五氯苯酚的现场数据相比具有优势,而全氟辛烷磺酸盐的模拟更具投机性,这是由于输入参数的不确定性以及现场数据不足以验证预测结果所致。因此,该模型提供了一种工具,用于评估迄今为止尚未通过诸如EQC之类的评估模型解决的一组化学品的环境命运和行为。

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