A First Principle Study on the Adsorption of Benzoic Acid onto the (6, 6) and (5, 5) Armchair Single-Walled Carbon Nanotubes
نویسندگان
چکیده
منابع مشابه
Adsorption of Carbon Monoxide on a (6, 6) Armchair Carbon Nanotube: Ab initio Study
Perhaps the more interesting nanostructures with large application potential, from transistors to probes, are carbon nanotubes. One of the most widely uses of these nanostructures are their applications as gas detector, which is an important application in the field se of environmental technologies. The present work studies the adsorption of carbon monoxide on a (6, 6) armchair carbon nanotube ...
متن کاملSulfur Dioxide Internal and External Adsorption on the Single-Walled Carbon Nanotubes: DFT Study
Density-functional theory is used to investigate sulfur dioxide physisorption inside and outside of single-wall carbon nanotube of (5,0) and (5,5). This study is conducted at B3LYP/6-31G* level of theory. Sulfur dioxide molecule is studied with axis oriented parallel or perpendicular to the nanotube wall. Both internal and external adsorption on nanotubes is increased with the angle of interact...
متن کاملadsorption of carbon monoxide on a (6, 6) armchair carbon nanotube: ab initio study
perhaps the more interesting nanostructures with large application potential, from transistors to probes, are carbon nanotubes. one of the most widely uses of these nanostructures are their applications as gas detector, which is an important application in the field se of environmental technologies. the present work studies the adsorption of carbon monoxide on a (6, 6) armchair carbon nanotube ...
متن کاملAdsorption of Humic Acid On Multi-Walled Carbon Nanotubes
Background: Natural organic matters (NOMs) have the main role in formation of trihalomethanes. These compounds are in natural water sources due to biological activities. In the presented study, adsorption and separation of humic acid as an index of natural organic matters using multi-walled carbon nanotubes is evaluated. Methods: The experiments were carried out in bath adsorption reactors wit...
متن کاملAdsorption of 1-chloro-4-nitrobenzene from aqueous solutions onto single-walled carbon nanotubes
In this study adsorption of 1-chloro-4-nitrobenzene on single walled carbon nanotubes has been investigated. The effect of contact time, pH, initial concentration of 1-chloro-4-nitrobenzene, adsorbent dosage and temperature on its adsorption has been carried out in order to find optimum adsorption conditions. Adsorption isotherms and related constants were also determined. Results showed that ...
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ژورنال
عنوان ژورنال: Oriental Journal of Chemistry
سال: 2017
ISSN: 0970-020X,2231-5039
DOI: 10.13005/ojc/330309