Adsorption in single-walled carbon nanotubes by experiments and molecular simulation II: Effect of morphology and temperature on organic adsorption

Sandeep Agnihotri, Massoud Rostam-Abadi, Jose P B Mota, Mark J Rood

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

In this study, hexane adsorption on single-walled carbon nanotube (SWNT) bundles was studied using the methodology developed in part I of this series of papers. First, hexane adsorption capacities of two purified SWNT samples was gravimetrically determined at isothermal conditions of 25, 37 and 50°C for 10 -4 < p/p o < 0.9, where p/p o is hexane vapor pressure relative to its saturation pressure. Next, simulation of hexane adsorption under similar temperature and pressure conditions were performed on the external and internal sites of nanotube bundles of diameters same as those in experimental samples. The internal adsorption was adjusted to incorporate the information about the fraction of open nanotubes present in the sample, as determined in part I; and total adsorption was calculated by summation of external and internal adsorption in the bundles. Comparison of experimental and simulated hexane adsorption capacities demonstrated the soundness of the methodology developed in part I, importance of organic adsorption on the peripheral surface of the bundles, limiting adsorption capacities of samples and effect of temperature on organic adsorption in nanotubes.

Original languageEnglish (US)
Title of host publication05AIChE
Subtitle of host publication2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings
Pages14021-14029
Number of pages9
StatePublished - 2005
Event05AIChE: 2005 AIChE Annual Meeting and Fall Showcase - Cincinnati, OH, United States
Duration: Oct 30 2005Nov 4 2005

Other

Other05AIChE: 2005 AIChE Annual Meeting and Fall Showcase
CountryUnited States
CityCincinnati, OH
Period10/30/0511/4/05

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ASJC Scopus subject areas

  • Engineering(all)

Cite this

Agnihotri, S., Rostam-Abadi, M., Mota, J. P. B., & Rood, M. J. (2005). Adsorption in single-walled carbon nanotubes by experiments and molecular simulation II: Effect of morphology and temperature on organic adsorption. In 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Conference Proceedings (pp. 14021-14029)