A framework for assessing the retardation of organic molecules in groundwater: Implications of the species distribution for the sorption-influenced transport.
A framework for assessing the retardation of organic molecules in groundwater: Implications of the species distribution for the sorption-influenced transport.
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DOI：
10.1016/j.scitotenv.2015.04.006
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发表时间：
2015-08
期刊：
影响因子：
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通讯作者：
M. Schaffer;T. Licha
中科院分区：
文献类型：
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作者：
M. Schaffer;T. Licha
溶液中 pH 依赖性分子形态（电荷状态）强烈影响可电离有机化合物在水生环境中的传输。因此，吸附行为是复杂的，仅基于物理化学吸附物、吸附剂和溶液特性的可靠预测具有挑战性。通过描述估计各自吸附系数/延迟因子的方法并讨论其局限性，完成了对含水层溶质运输过程中引起延迟的基本吸附过程的简短概述。基于这些初步考虑，提出了一个系统框架，该框架允许根据有机分子种类的化学性质（中性、酸性、碱性、两性）评估有机分子的传输特性。因此，可以评估许多感兴趣的（可电离的）有机分子的传输特性，甚至可以得出新的和尚未研究的分子的吸附行为的初步假设。
The pH-dependent molecule speciation (charge state) in solution strongly influences the transport of ionizable organic compounds in the aquatic environment. Therefore, the sorption behavior is complex and reliable predictions only based on physico-chemical sorbate, sorbent and solution properties are challenging. A short overview of underlying sorption processes causing retardation during the solute transport in aquifers is completed by a description of approaches for estimating respective sorption coefficients/retardation factors and discussed together with their limitations. Based on these initial considerations, a systematic framework is proposed, which allows the assessment of transport properties of organic molecule species by their chemical nature (neutral, acidic, basic, ampholytic). As a result, the transport properties of many (ionizable) organic molecules of interest can be assessed and even first presumptions for the sorption behavior of new and not yet investigated molecules can be derived.