Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 1 of 1
Full-Text Articles in Engineering
Predictive Model Development For Adsorption Of Organic Contaminants By Carbon Nanotubes, Onur Apul
Predictive Model Development For Adsorption Of Organic Contaminants By Carbon Nanotubes, Onur Apul
All Dissertations
The main objective of the study was to investigate mechanisms and statistical modeling of synthetic organic contaminant (SOC) adsorption by carbon nanotubes (CNTs). First, predictive models were developed for adsorption of low molecular weight aromatic compounds by multi-walled carbon nanotubes (MWCNTs) using experimental data for 59 compounds. Quantitative structure-activity relationship (QSAR) and linear solvation energy relationship (LSER) approaches were employed and developed models were externally validated using an independent dataset obtained from the literature. Up to date, no QSAR model has been reported for predicting adsorption of organics by CNTs. No LSER model is available which comprehensively investigates the adsorption …