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首页> 外文期刊>Environmental Science & Technology >Aggregation Kinetics of Higher-Order Fullerene Clusters in Aquatic Systems
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Aggregation Kinetics of Higher-Order Fullerene Clusters in Aquatic Systems

机译：水生系统中高阶富勒烯簇的聚集动力学

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摘要

The aggregation kinetics of nC_(60), and higher-order fullerene (HOF) clusters, i.e., nC_(70), nC_(76), and nC_(84), was systematically studied under a wide range of mono- (NaCl) and divalent (CaCl_2) electrolytes and using time-resolved dynamic light scattering. Suwanee River Humic Add (SRHA) was also used to determine the effect of natural macromolecules on nHOF aggregation. An increase in electrolyte concentration resulted in electrical double-layer compression of the negatively charged fullerene clusters, and the nC_(60)s and nHOFs alike displayed classical Derjaguin-Landau-Verwey-Overbeek (DLVO) type interaction. The critical coagulation concentration (CCC) displayed a strong negative correlation with the carbon number in fullerenes and was estimated as 220, 150, 100, and 70 mM NaCl and 10,12,6, and 7.5 mM CaCl_2 for nC_(60), nC_(70), nC_(76), and nC_(84), respectively. The aggregation mechanism (i.e., van der Waals interaction domination) was enumerated via molecular dynamics simulation and modified DLVO model. The presence of SRHA (ZS mg TOC/L) profoundly influenced the aggregation behavior by stabilizing all fullerene clusters, even at a 100 mM NaCl concentration. The results from this study can be utilized to predict aggregation kinetics of nHOF dusters other than the ones studied here. The scaling factor for van der Waals interaction can also be used to model nHOF duster interaction.
机译：nC_（60）和高阶富勒烯（HOF）团簇nC_（70），nC_（76）和nC_（84）的聚集动力学在宽范围的单（NaCl）范围内进行了系统地研究和二价（CaCl_2）电解质，并使用时间分辨动态光散射。 Suwanee River Humic Add（SRHA）也用于确定天然大分子对nHOF聚集的影响。电解质浓度的增加导致带负电的富勒烯簇的电双层压缩，并且nC_（60）s和nHOFs均表现出经典的Derjaguin-Landau-Verwey-Overbeek（DLVO）型相互作用。临界凝结浓度（CCC）与富勒烯中的碳数显示出很强的负相关性，对于nC_（60），nC_，估计为220、150、100和70 mM NaCl以及10、12、6和7.5 mM CaCl_2。 （70），nC_（76）和nC_（84）。通过分子动力学模拟和改进的DLVO模型列举了聚集机理（即范德华相互作用控制）。 SRHA（ZS mg TOC / L）的存在通过稳定所有富勒烯簇（即使在100 mM NaCl浓度下）也深刻影响了聚集行为。这项研究的结果可用于预测除此处研究的nHOF除尘器的聚集动力学。范德华相互作用的比例因子也可用于对nHOF除尘器相互作用进行建模。

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  • 来源
    《Environmental Science & Technology》 |2016年第7期|3562-3571|共10页
  • 作者

    Nirupam Aich; Linkel K Boateng; Indu Venu Sabaraya; Dipesh Das; Joseph R. V. Flora; Navid B. Saleh;

  • 作者单位

    Department of Civil, Architectural and Environmental Engineering, University of Texas at Austin, Austin, Texas 78712, United States,Department of Civil, Structural and Environmental Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States of America;

    Department of Civil and Environmental Engineering, University of South Carolina, Columbia, South Carolina 29208, United States,Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634, United States of America;

    Department of Civil, Architectural and Environmental Engineering, University of Texas at Austin, Austin, Texas 78712, United States;

    Department of Civil, Architectural and Environmental Engineering, University of Texas at Austin, Austin, Texas 78712, United States;

    Department of Civil and Environmental Engineering, University of South Carolina, Columbia, South Carolina 29208, United States;

    Department of Civil, Architectural and Environmental Engineering, University of Texas at Austin, Austin, Texas 78712, United States;

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