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首页> 外文期刊>Environmental Science & Technology >Integrating Empirically Dissolved Organic Matter Quality for WHAM VI using the DOM Optical Properties: A Case Study of Cu-AI-DOM Interactions
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Integrating Empirically Dissolved Organic Matter Quality for WHAM VI using the DOM Optical Properties: A Case Study of Cu-AI-DOM Interactions

机译：使用DOM光学特性整合WHAM VI的经验溶解有机物质量：以Cu-AI-DOM相互作用为例

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摘要

Metal speciation is important for understanding the toxicity of metals in aquatic systems, and can be predicted for mixtures of metals in presence of dissolved organic matter (DOM) with thermodynamic models such as WHAM VI. The influence of the DOM source (quality) has been demonstrated, but is presently neglected in predicting Cu activity (WHAM VI). Here we determined the effect of aluminum (Al) competition on copper (Cu) complexation for four different DOMs, from a high-colored DOM (more humic) to a low-colored DOM (less humic). In presence of Al, free Cu activities (defined as free ion activity) increased, consistent with competition between Cu and Al for the same binding sites on all DOM. The apparent competition decreased with increasing DOM color. Equilibrium modeling of Cu speciation with WHAM VI explained 49% of the variance in measured Cu activity. When modified to integrate DOM quality using a new empirical coefficient F related to DOM optical properties, Cu activities predicted from WHAM VI were significantly improved to about 80% of the observed variance explained. The effects of Al on Cu activity were well predicted by WHAM VI. Subsequently, we compared the relative effects of DOM concentration, DOM quality, and Al competition with other determinants of Cu activity represented in legislation and scientific literature (pH and hardness), and qualitatively ranked them by their influence on Cu activity for normal ranges encountered in fresh waters using WHAM VI. Our experimental results indicate that DOM quality is an important variable that should be included in predictive models of ion speciation (WHAM VI) and eco-toxicological models such as the biotic ligand model (BLM).
机译：金属形态对于理解金属在水生系统中的毒性很重要，并且可以通过热力学模型（例如WHAM VI）预测存在溶解有机物（DOM）的金属混合物。已经证明了DOM来源（质量）的影响，但目前在预测Cu活性（WHAM VI）中被忽略了。在这里，我们确定了四种不同DOM的铝（Al）竞争对铜（Cu）络合的影响，从高颜色的DOM（腐殖化程度更高）到低颜色的DOM（腐殖度降低）。在存在Al的情况下，游离Cu活性（定义为游离离子活性）增加，与Cu和Al在所有DOM上相同的结合位点之间的竞争一致。表观竞争随着DOM颜色的增加而降低。用WHAM VI对Cu形态进行平衡建模可以解释所测Cu活性的49％变化。当使用与DOM光学特性相关的新经验系数F进行修改以集成DOM质量时，从WHAM VI预测的Cu活性显着提高到所观察到的方差的80％。 WHAM VI很好地预测了Al对Cu活性的影响。随后，我们将DOM浓度，DOM质量和Al竞争与立法和科学文献（pH和硬度）中代表的其他Cu活性决定因素的相对影响进行了比较，并根据它们在正常范围内遇到的Cu活性影响对它们进行了定性排名。使用WHAM VI的淡水。我们的实验结果表明，DOM质量是重要的变量，应包括在离子形态预测模型（WHAM VI）和生态毒理学模型（例如生物配体模型（BLM））中。

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  • 来源
    《Environmental Science & Technology》 |2013年第4期|2001-2007|共7页
  • 作者

    Anthony Chappaz; P. Jeff Curtis;

  • 作者单位

    Institute for Great Lakes Research, Department of Chemistry, Department of Earth and Atmospheric Sciences, Central Michigan University, Mount Pleasant, Michigan, United States;

    Department of Earth and Environmental Sciences, The University of British Columbia Okanagan, Kelowna, BC, Canada;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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