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疏水性有机化学品从沉积物到水体的解吸动力学:数据与模型综述

Desorption kinetics of hydrophobic organic chemicals from sediment to water: a review of data and models.

作者信息

Birdwell Justin, Cook Robert L, Thibodeaux Louis J

机构信息

Gordon A. and Mary Cain Department of Chemical Engineering, Louisiana State University, 110 Chemical Engineering Building, South Stadium Road, Baton Rouge, Louisiana 70803, USA.

出版信息

Environ Toxicol Chem. 2007 Mar;26(3):424-34. doi: 10.1897/06-104r.1.

Abstract

Resuspension of contaminated sediment can lead to the release of toxic compounds to surface waters where they are more bioavailable and mobile. Because the timeframe of particle resettling during such events is shorter than that needed to reach equilibrium, a kinetic approach is required for modeling the release process. Due to the current inability of common theoretical approaches to predict site-specific release rates, empirical algorithms incorporating the phenomenological assumption of biphasic, or fast and slow, release dominate the descriptions of nonpolar organic chemical release in the literature. Two first-order rate constants and one fraction are sufficient to characterize practically all of the data sets studied. These rate constants were compared to theoretical model parameters and functionalities, including chemical properties of the contaminants and physical properties of the sorbents, to determine if the trends incorporated into the hindered diffusion model are consistent with the parameters used in curve fitting. The results did not correspond to the parameter dependence of the hindered diffusion model. No trend in desorption rate constants, for either fast or slow release, was observed to be dependent on K(OC) or aqueous solubility for six and seven orders of magnitude, respectively. The same was observed for aqueous diffusivity and sediment fraction organic carbon. The distribution of kinetic rate constant values was approximately log-normal, ranging from 0.1 to 50 d(-1) for the fast release (average approximately 5 d(-1)) and 0.0001 to 0.1 d(-1) for the slow release (average approximately 0.03 d(-1)). The implications of these findings with regard to laboratory studies, theoretical desorption process mechanisms, and water quality modeling needs are presented and discussed.

摘要

受污染沉积物的再悬浮会导致有毒化合物释放到地表水,在地表水中这些化合物的生物可利用性和流动性更强。由于此类事件中颗粒沉降的时间框架短于达到平衡所需的时间,因此需要采用动力学方法来模拟释放过程。由于目前常见的理论方法无法预测特定地点的释放速率,纳入双相(即快速和慢速)释放现象学假设的经验算法在文献中对非极性有机化学物质释放的描述中占主导地位。两个一级速率常数和一个分数足以表征几乎所有研究的数据集。将这些速率常数与理论模型参数和功能进行比较,包括污染物的化学性质和吸附剂的物理性质,以确定纳入受阻扩散模型的趋势是否与曲线拟合中使用的参数一致。结果与受阻扩散模型的参数依赖性不相符。对于快速和慢速释放,分别在六个和七个数量级范围内,未观察到解吸速率常数的趋势依赖于K(OC)或水溶性。对于水扩散系数和沉积物有机碳分数也观察到同样的情况。动力学速率常数值的分布近似对数正态分布,快速释放的范围为0.1至50 d(-1)(平均约5 d(-1)),慢速释放的范围为0.0001至0.1 d(-1)(平均约0.03 d(-1))。本文介绍并讨论了这些发现对实验室研究、理论解吸过程机制和水质建模需求的影响。

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