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.

这项研究将提供对控制碳纳米管吸附的有机化合物吸附的因素的基本理解。 将开发定量结构活性关系（QSAR）模型。 在全球范围内生产和使用了数千种有机化合物。 这项研究将预测碳纳米管在水中的有机化合物吸附，而无需进行昂贵的实验。 该方法是系统地研究精心选择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。 这些将与在受控背景溶液矩阵中具有不同理化特性的一组有机探针分子一起使用。 具有广泛结构特征的碳纳米管将得到广泛的特征，并将进行等温线实验，以系统地检查纳米管结构参数和有机复合物理学特性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具有环境可持续性的方法，以生产碳纳米管来针对不同的应用。