Nanopyroxene Grafting with β-Cyclodextrin Monomer for Wastewater Applications,ACS Applied Materials & Interfaces

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Nanopyroxene Grafting with β-Cyclodextrin Monomer for Wastewater Applications
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2017-11-17 00:00:00 , DOI: 10.1021/acsami.7b13677
Ghada Nafie ₁ , Gerardo Vitale ₁ , Lante Carbognani Ortega ₁ , Nashaat N. Nassar ₁

Affiliation

Emerging nanoparticle technology provides opportunities for environmentally friendly wastewater treatment applications, including those in the large liquid tailings containments in the Alberta oil sands. In this study, we synthesize β-cyclodextrin grafted nanopyroxenes to offer an ecofriendly platform for the selective removal of organic compounds typically present in these types of applications. We carry out computational modeling at the micro level through molecular mechanics and molecular dynamics simulations and laboratory experiments at the macro level to understand the interactions between the synthesized nanomaterials and two-model naphthenic acid molecules (cyclopentanecarboxylic and trans-4-pentylcyclohexanecarboxylic acids) typically existing in tailing ponds. The proof-of-concept computational modeling and experiments demonstrate that monomer grafted nanopyroxene or nano-AE of the sodium iron-silicate aegirine are found to be promising candidates for the removal of polar organic compounds from wastewater, among other applications. These nano-AE offer new possibilities for treating tailing ponds generated by the oil sands industry.

中文翻译：

β-环糊精单体的纳米吡咯烷接枝废水处理

新兴的纳米技术为环境友好的废水处理应用提供了机会，包括那些在艾伯塔省油砂中的大型液体尾矿围护中的应用。在这项研究中，我们合成了β-环糊精接枝的纳米吡咯化合物，为选择性去除通常存在于这些类型应用中的有机化合物提供了一个生态友好的平台。我们通过分子力学和分子动力学模拟以及宏观水平的实验室实验在微观水平上进行计算建模，以了解合成的纳米材料与通常存在的两种模式的环烷酸分子（环戊烷羧酸和反式-4-戊基环己烷羧酸）之间的相互作用在尾矿池中。概念验证的计算模型和实验表明，除其他应用外，单体接枝的纳米吡rox或硅酸钠铁硅酸钠的纳米AE是从废水中去除极性有机化合物的有希望的候选者。这些纳米AE为处理油砂工业产生的尾矿池提供了新的可能性。

更新日期：2017-11-19

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