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

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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.