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An exponential model based new approach for correcting aqueous concentrations of hydrophobic organic chemicals measured by polyethylene passive samplers
Science of the Total Environment ( IF 9.8 ) Pub Date : 2018-07-20 , DOI: 10.1016/j.scitotenv.2018.07.192
Wenjian Lao , Keith A. Maruya , David Tsukada

Although low density polyethylene (PE) passive samplers show promise for the measurement of aqueous phase hydrophobic organic chemicals (HOCs), the lack of a practical and unsophisticated approach to account for non-equilibrium exposure conditions has impeded widespread acceptance and thus application in situ. The goal of this study was to develop a streamlined approach based on an exponential model and a convection mass transfer principle for correcting aqueous concentrations for HOCs deduced by PE samplers under non-equilibrium conditions. First, uptake rate constants (k1), elimination rate constants (k2), and seawater-PE equilibrium partition coefficients (KPEWs) were determined in laboratory experiments for a diverse suite of HOCs with logKow range of 3.4–8.3. Linear relationships between log k2 and logKow, and between log KPEW and logKow were established. Second, PE samplers pre-loaded with 13C-labeled performance reference compounds (PRCs) were deployed in the ocean to determine their k2in situ. By applying boundary layer and convection mass transfer theories, ratio (C) of k2 values in field and laboratory exposures was estimated. This C value was demonstrated a constant that was only determined by water velocities and widths of PE strips. A generic equation with C and logKow as parameters was eventually established for extrapolation of non-equilibrium correction factors for the water boundary layer-controlled HOCs. Characterizing the hydrodynamic conditions indicated the sampler configuration and mooring mode should aim at sustaining laminar flow on the PE surface for optimal mass transfer. The PE estimates corrected using this novel approach possessed high accuracy and acceptable precision, and can be suited for a broad spectrum of HOCs. The presented method should facilitate routine utilization of the PE samplers.



中文翻译:

一种基于指数模型的新方法,用于校正聚乙烯无源采样器测量的疏水性有机化学物质的水溶液浓度

尽管低密度聚乙烯(PE)无源采样器有望用于水相疏水性有机化学物质(HOC)的测量,但缺乏解决非平衡暴露条件的实用且不复杂的方法阻碍了广泛的接受,因此就地应用。这项研究的目的是开发一种基于指数模型和对流传质原理的流线型方法,以校正PE采样器在非平衡条件下推导的HOC的水浓度。首先,摄取速率常数(k 1),消除速率常数(k 2)和海水-PE平衡分配系数(K PEW或多个)是在实验室实验,确定肝卵圆细胞的使用日志多样化套件ķ范围的3.4-8.3。建立了log k 2和log K ow之间以及log K PEW和log K ow之间的线性关系。其次,将预先装有13种C标记的性能参考化合物(PRC)的PE采样器部署到海洋中,以现场确定其k 2。通过应用边界层和对流传质理论,估计了野外和实验室暴露的k 2值之比(C)。这个C该值证明了一个常数,该常数仅由水的速度和PE条的宽度确定。最终建立了一个以C和log K ow为参数的通用方程,用于对水边界层控制的HOC的非平衡校正因子进行外推。表征流体动力学条件表明,采样器的配置和系泊模式应旨在维持PE表面的层流,以实现最佳质量传递。使用这种新颖方法校正的PE估计值具有很高的准确性和可接受的精度,并且可以适用于广泛的HOC。提出的方法应有助于PE采样器的常规使用。

更新日期:2018-07-22
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