Molecular dynamic simulations of carbon nanotubes in CO2 atmosphere
Kassinos, Stavros C.
SourceChemical Physics Letters
Google Scholar check
MetadataShow full item record
This work investigates by means of molecular dynamics the filling of carbon nanotubes by carbon dioxide molecules. Nanotubes of various sizes are simulated and the resulting CO2 density calculated. The effects of various CO2 models are also investigated. The results show that the carbon dioxide molecules have a natural tendency to fill the nanotubes and the final CO2 concentration inside the nanotube can be approximately 100 times (depending on diameter and CO2 model) higher than that of the external atmosphere. © 2008 Elsevier B.V. All rights reserved.
Showing items related by title, author, creator and subject.
Ultrafast pulsed laser deposition of carbon nanostructures: Structural and optical characterization Pervolaraki, M.; Komninou, P.; Kioseoglou, J.; Othonos, A.; Giapintzakis, John (2013)Carbon nanostructured materials were obtained by high-repetition rate pulsed laser ablation of a graphite target using a train of 10-ps duration pulses at 1064 nm in different pressures of high-purity Ar gas. It is ...
Nanoporous activated carbon cloth as a versatile material for hydrogen adsorption, selective gas separation and electrochemical energy storage Kostoglou, N.; Koczwara, C.; Prehal, C.; Terziyska, V.; Babic, B.; Matovic, B.; Constantinides, G.; Tampaxis, C.; Charalambopoulou, Georgia; Steriotis, T.; Hinder, S.; Baker, M. A.; Polychronopoulou, K.; Doumanidis, C. C.; Paris, O.; Mitterer, C.; Rebholz, Claus (2017)The efficient storage of energy combined with a minimum carbon footprint is still considered one of the major challenges towards the transition to a progressive, sustainable and environmental friendly society on a global ...
Nanoparticles-enabled low temperature growth of carbon nanofibers and their properties for supercapacitors Andersson, R.; Saleem, A. M.; Savva, I.; Krasia-Christoforou, T.; Enoksson, P.; Desmaris, V. (2018)