Thermodynamics of benzene adsorption on oxidized carbon nanotubes - experimental and simulation studies

Marek Wisniewski; Sylwester Furmaniak; Piotr Kowalczyk; Karolina M. Werengowska; Gerhard Rychlicki

doi:10.1016/j.cplett.2012.04.038

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Thermodynamics of benzene adsorption on oxidized carbon nanotubes - experimental and simulation studies

Journal article

Peer reviewed

Thermodynamics of benzene adsorption on oxidized carbon nanotubes - experimental and simulation studies

Marek Wisniewski, Sylwester Furmaniak, Piotr Kowalczyk, Karolina M. Werengowska and Gerhard Rychlicki

Chemical Physics Letters, Vol.538, pp.93-98

2012

DOI: https://doi.org/10.1016/j.cplett.2012.04.038

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Abstract

We studied the thermodynamics of benzene adsorption on a series of oxidized closed-ended multiwalled carbon nanotubes at 298 K. Combined experimental and simulation results showed the significant effect of the surface heterogeneity on the benzene adsorption enthalpy and entropy at low surface coverages. For oxidized carbon nanotubes and low benzene uptakes, the differential entropy of the adsorbed phase is close to the differential entropy of solid benzene. Therefore, benzene molecules interacting with surface heterogeneities are ordered in quasi-solid structures at 298 K. At higher surface coverages, the ordering and packing of benzene molecules is liquid-like.

Details

Title: Thermodynamics of benzene adsorption on oxidized carbon nanotubes - experimental and simulation studies
Authors/Creators: Marek Wisniewski - Materials Research Group (United States)
Sylwester Furmaniak - Materials Research Group (United States)
Piotr Kowalczyk - Curtin University
Karolina M. Werengowska - Materials Research Group (United States)
Gerhard Rychlicki - Materials Research Group (United States)
Publication Details: Chemical Physics Letters, Vol.538, pp.93-98
Publisher: Elsevier
Number of pages: 6
Grant note: Office of Research & Development, Curtin University of Technology
Identifiers: 991005560351407891
Murdoch Affiliation: Centre for Water, Energy and Waste
Language: English
Resource Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Citation topics: 2 Chemistry; 2.76 2D Materials; 2.76.23 Carbon Nanotubes
Web Of Science research areas: Chemistry, Physical; Physics, Atomic, Molecular & Chemical
ESI research areas: Chemistry