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首页> 外文期刊>Environmental Science & Technology >Mechanisms of 1,4-Dioxane Biodegradation and Adsorption by Bio-Zeolite in the Presence of Chlorinated Solvents: Experimental and Molecular Dynamics Simulation Studies
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Mechanisms of 1,4-Dioxane Biodegradation and Adsorption by Bio-Zeolite in the Presence of Chlorinated Solvents: Experimental and Molecular Dynamics Simulation Studies

机译：氯化溶剂存在下生物沸石对1，4-二恶烷的降解和吸附机理：实验和分子动力学模拟研究

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摘要

The use of bioaugmented zeolite (bio-zeolite) can be an effective technology for irreversibly removing recalcitrant organic pollutants in aqueous mixtures. Removal of 1,4-dioxane by a bio-zeolite (Pseudonocardia dioxanivorans CB1190-bioaugmented ZSM-5) in the presence of several chlorinated volatile organic compounds (CVOCs) was superior to removal by adsorption using abiotic zeolite. Mixtures containing 1,1-dichloroethene (1,1-DCE) were an exception, which completely inhibited the bio-zeolite system. Specific adsorption characteristics were studied using adsorption isotherms in single-solute and bisolute systems accompanied by Polanyi theory-based Dubinin-Astakhov (DA) modeling. Adsorption behavior was examined using characteristic energy (E-a/H) from modified DA models and molecular dynamics simulations. While the tight-fit of 1,4-dioxane in the hydrophobic channels of ZSM-5 appears to drive 1,4-dioxane adsorption, the greater hydrophobicity of trichloroethene and cis-1,2-dichloroethene cause them have a greater affinity over 1,4-dioxane for adsorption sites on the zeolite. 1,4-Dioxane was desorbed and displaced by CVOCs except 1,1-DCE because of its low E-a/H value, explaining why bio-zeolite only biodegraded 1,4-dioxane in 1,1-DCE-free CVOC mixtures. Understanding the adsorption mechanisms of solutes in complex mixtures is crucial for the implementation of sorption-based treatment technologies for the removal of complex contaminant mixtures from aquatic environments.
机译：使用生物增强型沸石（生物沸石）可以有效地不可逆地去除水性混合物中的顽固有机污染物。在几种氯化挥发性有机化合物（CVOC）的存在下，生物沸石（假二恶心假单胞菌CB1190-生物增强型ZSM-5）对1,4-二恶烷的去除效果优于非生物沸石的吸附去除效果。含有1,1-二氯乙烯（1,1-DCE）的混合物是一个例外，它完全抑制了生物沸石系统。在单溶质和双溶质系统中使用吸附等温线，并结合基于波兰尼理论的Dubinin-Astakhov（DA）模型，研究了特定的吸附特性。使用改进的DA模型中的特征能量（E-a / H）和分子动力学模拟检查了吸附行为。虽然1,4-二恶烷在ZSM-5疏水通道中的紧密配合似乎可以驱动1,4-二恶烷的吸附，但三氯乙烯和顺式1,2-二氯乙烯的较大疏水性导致它们与1的亲和力更大，4-二恶烷在沸石上的吸附位。 1,4-二恶烷因其低的E-a / H值而被CVOC解吸和置换，因为它的E-a / H值低，这解释了为什么生物沸石只能在无1,1-DCE的CVOC混合物中生物降解1,4-二恶烷。了解复杂混合物中溶质的吸附机理对于实施基于吸附的处理技术以从水生环境中去除复杂污染物混合物至关重要。

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  • 来源
    《Environmental Science & Technology》 |2019年第24期|14538-14547|共10页
  • 作者

    Liu Yun; Johnson Nicholas W.; Liu Cun; Chen Ruihuan; Zhong Ming; Dong Yuanhua; Mahendra Shaily;

  • 作者单位

    Chinese Acad Sci Inst Soil Sci Key Lab Soil Environm & Pollut Remediat Nanjing 210008 Jiangsu Peoples R China|Univ Calif Los Angeles Civil & Environm Engn Los Angeles CA 90095 USA|Univ Chinese Acad Sci Beijing 100000 Hebei Peoples R China;

    Univ Calif Los Angeles Civil & Environm Engn Los Angeles CA 90095 USA;

    Chinese Acad Sci Inst Soil Sci Key Lab Soil Environm & Pollut Remediat Nanjing 210008 Jiangsu Peoples R China|Univ Chinese Acad Sci Beijing 100000 Hebei Peoples R China;

  • 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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