Organic micropollutants (OMPs) in drinking water constitute a potential risk to human health; therefore, effective removal of these pollutants is required. Nanofiltration (NF) and reverse osmosis (RO) are promising membrane-based technologies to remove OMPs. In NF and RO, the rejection of OMPs depends on the properties and characteristics of the membrane, the solute, and the solution. In this review, we discuss how these properties can be included in models to study and predict the rejection of OMPs. Initially, an OMP classification is proposed to capture the relevant properties of 58 OMPs. Following the methodology described in this study, more and new OMPs can be easily included in this classification. The classification aims to increase the comprehension and mechanistic understanding of OMP removal. Based on the physicochemical principles used to classify the 58 OMPs, it is expected that other OMPs in the same groups will be similarly rejected. From this classification, we present an overview of the rejection mechanisms involved in the removal of specific OMP groups. For instance, we discuss the removal of OMPs classified as perfluoroalkyl substances (e.g., perfluorooctanoic acid, PFOA). These substances are highly relevant due to their human toxicity at extremely low concentration as well as their persistence and omnipresence in the environment. Finally, we discuss how the rejection of OMPs can be predicted by complimentary describing the membrane-solution interface and calculating the transport of solutes inside the membrane. We stress and illustrate the importance and impact of different rejection mechanisms and interfacial phenomena on OMP removal and propose an extended Nernst-Plank equation to calculate the transport of solutes across the membrane due to convection, diffusion, and electromigration. Finally, we show how the theory discussed in this review leads to improved predictions of OMP rejection by the membranes.

饮用水中的有机微污染物 (OMP) 对人类健康构成潜在风险；因此，需要有效去除这些污染物。纳滤 (NF) 和反渗透 (RO) 是有前景的去除 OMP 的基于膜的技术。在 NF 和 RO 中，OMP 的截留率取决于膜、溶质和溶液的性质和特性。在这篇综述中，我们讨论了如何将这些属性包含在模型中，以研究和预测 OMP 的拒绝。最初，提出了一种 OMP 分类来捕获 58 个 OMP 的相关属性。按照本研究中描述的方法，可以轻松地将更多和新的 OMP 包含在此分类中。该分类旨在增加对 OMP 去除的理解和机械理解。根据用于对 58 个 OMP 进行分类的物理化学原理，预计同一组中的其他 OMP 将被类似地拒绝。从这个分类中，我们概述了去除特定 OMP 组所涉及的拒绝机制。例如，我们讨论了去除归类为全氟烷基物质（例如，全氟辛酸，PFOA）的 OMP。这些物质具有高度相关性，因为它们在极低浓度下对人体具有毒性，以及它们在环境中的持久性和无处不在。最后，我们讨论了如何通过补充描述膜-溶液界面和计算膜内溶质的迁移来预测 OMP 的排斥。我们强调并说明了不同排斥机制和界面现象对 OMP 去除的重要性和影响，并提出了一个扩展的 Nernst-Plank 方程来计算由于对流、扩散和电迁移引起的溶质跨膜传输。最后，我们展示了本综述中讨论的理论如何改进对膜对 OMP 排斥的预测。