T. Roussel

Works (3)

Updated: July 5th, 2023 15:50

2010 journal article

Dual diffusion mechanism of argon confined in single-walled carbon nanotube bundles

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12(25), 6632–6640.

By: Y. Liu n, J. Moore n, T. Roussel n & K. Gubbins n 

TL;DR: The adsorption and diffusion mechanisms of argon at 120 K were examined in a (25,0) single-walled carbon nanotube (SWCNT) bundle using a combination of Grand Canonical Monte Carlo and microcanonical molecular dynamics simulations. (via Semantic Scholar)
Sources: Web Of Science, ORCID
Added: August 6, 2018

2010 journal article

Transition from single-file to Fickian diffusion for binary mixtures in single-walled carbon nanotubes

JOURNAL OF CHEMICAL PHYSICS, 133(9).

By: Q. Chen*, J. Moore n, Y. Liu n, T. Roussel n, Q. Wang *, T. Wu *, K. Gubbins n 

author keywords: argon; carbon nanotubes; krypton; mixtures; nanoporous materials; neon; self-diffusion; solvation; xenon
TL;DR: The transition from single- file diffusion to Fickian diffusion in narrow cylindrical pores is investigated for systems of rigid single-walled armchair carbon nanotubes, solvated with binary mixtures of Lennard-Jones fluids and it is found that the single-file toFickian carbon nanOTube transition diameter is a unique property of the individual molecule's diameter and remains unchanged regardless of the mixture composition. (via Semantic Scholar)
Sources: Web Of Science, ORCID
Added: August 6, 2018

2009 journal article

Hydrogen storage enhanced in Li-doped carbon replica of zeolites: A possible route to achieve fuel cell demand

JOURNAL OF CHEMICAL PHYSICS, 130(17).

By: T. Roussel n, C. Bichara *, K. Gubbins n  & R. Pellenq *

author keywords: adsorption; carbon nanotubes; doping; fuel cells; hydrogen storage; lithium; Monte Carlo methods; nanocomposites; nanoporous materials; nanotechnology; zeolites
TL;DR: It is found that these new ordered composites and their Li-doped versions show very attractive hydrogen storage capacities at 77 and 298 K, respectively and are thus very promising materials for hydrogen storage issues by contrast with MOFs. (via Semantic Scholar)
Sources: Web Of Science, ORCID
Added: August 6, 2018

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