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A review of multimedia transport and fate models for chemicals: Principles, features and applicability

机译:化学品的多媒体运输和命运模型回顾:原理,特征和适用性

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The frequent use of chemicals has caused ecosystems and humans to be threatened due to their discharge into the environment. Multimedia environmental fate models could provide a comprehensive picture of transport behaviour and fate for organic chemicals in multiple environmental media. They have been designed and widely used for chemical risk assessment, chemical ranking and management support, and determination of chemical bioaccumulation. This study reviewed the principles, features and applicability of recent commonly used multimedia fate models from peer-reviewed literature. Fugacity-based and concentration-based models are now widely adopted for use in chemical fate evaluation, while they are more appropriate for volatile and semi-volatile chemicals. Or the fugacity-based models can use aquivalence equilibrium criterion to cations, anions and involatile chemicals. The MAMI and SESAMe models based on activity approach are applicable to neutral and ionizable molecules. However, interactions of ionic species with other water solutes are not taken into account in these models. Additionally, they could not directionally simulate how chemicals transported form one grid to another. Future attention should be focused on the reliability of transfer behaviour and fate of ionizable chemicals, as integrating the advantages of these two kinds of models into a reconstructed one may be a better choice. In a word, environmental multimedia models have been beneficial tools for chemical control and management, risk and effect estimation, and decision supporting. (c) 2019 Elsevier B.V. All rights reserved.
机译:化学品的频繁使用已导致其排放到环境中,从而威胁到生态系统和人类。多媒体环境归宿模型可以提供多种环境介质中有机化学品的运输行为和归宿的全面情况。它们已被设计并广泛用于化学风险评估,化学等级和管理支持以及化学生物累积的确定。这项研究从同行评审的文献中回顾了最近常用的多媒体命运模型的原理,特征和适用性。基于逸度和浓度的模型现在被广泛用于化学命运评估中,而它们更适合于挥发性和半挥发性化学物质。或者,基于逸度的模型可以使用等价性平衡标准来处理阳离子,阴离子和不挥发性化学物质。基于活性方法的MAMI和SESAMe模型适用于中性和可电离的分子。但是,在这些模型中未考虑离子物种与其他水溶质的相互作用。此外,他们无法定向模拟化学物质如何从一个网格传输到另一个网格。未来应将注意力集中在转移行为和可电离化学物质命运的可靠性上,因为将这两种模型的优势整合到重构模型中可能是一个更好的选择。简而言之,环境多媒体模型已成为用于化学控制和管理,风险和效果估算以及决策支持的有益工具。 (c)2019 Elsevier B.V.保留所有权利。

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