Quantitative Structure-Adsorbability Relationships for the Adsorption of Organic Chemicals by Carbon Nanotubes

碳纳米管吸附有机化学品的定量结构-吸附性关系

• 批准号: 0967425
• 负责人: Tanju Karanfil
• 金额: $ 31.82万
• 依托单位: Clemson University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-09-01 至 2014-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0967425&HistoricalAwards=false
• 关键词: Quantitative; Structure; Adsorbability; Relationships; Adsorption

The research will provide a fundamental understanding of the factors controlling the adsorption of organic compounds by carbon nanotubes. Quantitative structure-activity relationship (QSAR) models will be developed. There are thousands of organic compounds produced and used worldwide. This research will predict the adsorption of organic compounds by carbon nanotubes in water without the need for performing costly experiments. The approach is to systematically investigate the adsorption and aggregation of carefully selected carbon nanotubes with a wide spectrum of diameter, length, number of walls, and surface functional groups. These will be used with a suite of organic probe molecules with different physicochemical properties in controlled background solution matrices. Carbon nanotubes with a wide range of structural characterists will be extensively characterized and isotherm experiments will be performed to systematically examine the roles of nanotube structural parameters and organic compound physicochemical properties in the adsorption process. Carbon nanotube manufacturers will be able to use these models to develop environmentally sustainable approaches in their production of carbon nanotubes toward different applications.

该研究将对碳纳米管吸附有机化合物的控制因素提供一个基本的认识。建立定量构效关系（QSAR）模型。全世界有成千上万种有机化合物被生产和使用。这项研究将预测碳纳米管在水中对有机化合物的吸附，而不需要进行昂贵的实验。该方法是系统地研究精心挑选的碳纳米管的吸附和聚集，这些碳纳米管具有广泛的直径、长度、壁数和表面官能团。这些将与一套具有不同物理化学性质的有机探针分子一起在受控的背景溶液矩阵中使用。对具有多种结构特征的碳纳米管进行了广泛的表征，并进行了等温实验，系统地研究了纳米管结构参数和有机化合物物理化学性质在吸附过程中的作用。碳纳米管制造商将能够使用这些模型来开发环境可持续的碳纳米管生产方法，用于不同的应用。