Adsorptive behavior of CO 2, CH 4 and their mixtures in carbon nanospace: a molecular simulation study JC Palmer, JD Moore, TJ Roussel, JK Brennan, KE Gubbins
Physical Chemistry Chemical Physics 13 (9), 3985-3996, 2011
84 2011 Experimental and atomistic simulation study of the structural and adsorption properties of faujasite zeolite− templated nanostructured carbon materials T Roussel, A Didion, RJM Pellenq, R Gadiou, C Bichara, C Vix-Guterl
The Journal of Physical Chemistry C 111 (43), 15863-15876, 2007
74 2007 Microporous carbon adsorbents with high CO 2 capacities for industrial applications S Builes, T Roussel, CM Ghimbeu, J Parmentier, R Gadiou, C Vix-Guterl, ...
Physical Chemistry Chemical Physics 13 (35), 16063-16070, 2011
72 2011 Optimization of the separation of sulfur hexafluoride and nitrogen by selective adsorption using monte carlo simulations S Builes, T Roussel, LF Vega
AIChE journal 57 (4), 962-974, 2011
59 2011 Adsorption and diffusion of argon confined in ordered and disordered microporous carbons JD Moore, JC Palmer, YC Liu, TJ Roussel, JK Brennan, KE Gubbins
Applied Surface Science 256 (17), 5131-5136, 2010
57 2010 Transition from single-file to Fickian diffusion for binary mixtures in single-walled carbon nanotubes Q Chen, JD Moore, YC Liu, TJ Roussel, Q Wang, T Wu, KE Gubbins
The Journal of chemical physics 133 (9), 2010
50 2010 Thermodynamic and neutron scattering study of hydrogen adsorption in two mesoporous ordered carbons T Roussel, RJM Pellenq, M Bienfait, C Vix-Guterl, R Gadiou, F Beguin, ...
Langmuir 22 (10), 4614-4619, 2006
41 2006 Hydrogen storage enhanced in Li-doped carbon replica of zeolites: A possible route to achieve fuel cell demand T Roussel, C Bichara, KE Gubbins, RJM Pellenq
The Journal of chemical physics 130 (17), 2009
36 2009 Dual diffusion mechanism of argon confined in single-walled carbon nanotube bundles YC Liu, JD Moore, TJ Roussel, KE Gubbins
Physical Chemistry Chemical Physics 12 (25), 6632-6640, 2010
35 2010 Predicting supramolecular self-assembly on reconstructed metal surfaces TJ Roussel, E Barrena, C Ocal, J Faraudo
Nanoscale 6 (14), 7991-8001, 2014
32 2014 Molecular simulations of water in hydrophobic microporous solids RJM Pellenq, T Roussel, J Puibasset
Adsorption 14, 733-742, 2008
31 2008 Modeling the self-assembly of nano objects: applications to supramolecular organic monolayers adsorbed on metal surfaces TJ Roussel, LF Vega
Journal of Chemical Theory and Computation 9 (5), 2161-2169, 2013
30 2013 Testing the feasibility of using the density functional theory route for pore size distribution calculations of ordered microporous carbons T Roussel, J Jagiello, RJM Pellenq, M Thommes, C Bichara
Molecular Simulation 32 (7), 551-555, 2006
28 2006 Self-assembly of a catechol-based macrocycle at the liquid–solid interface: experiments and molecular dynamics simulations J Saiz-Poseu, A Martínez-Otero, T Roussel, JKH Hui, ML Montero, ...
Physical Chemistry Chemical Physics 14 (34), 11937-11943, 2012
21 2012 Selenium and Carbon Nanostructures in the Pores of AlPO4 -5 T Roussel, C Bichara, RJM Pellenq
Adsorption 11 (Suppl 1), 709-714, 2005
17 2005 Structure of narrow-diameter single-wall carbon nanotubes grown in T Roussel, RJM Pellenq, C Bichara
Physical Review B—Condensed Matter and Materials Physics 76 (23), 235418, 2007
13 2007 Observation and modeling of conformational molecular structures driving the self-assembly of tri-adamantyl benzene on Ag (111) B Calmettes, N Estrampes, C Coudret, TJ Roussel, J Faraudo, R Coratger
Physical Chemistry Chemical Physics 18 (30), 20281-20289, 2016
5 2016 Crossover from single-file to Fickian diffusion in carbon nanotubes and nanotube bundles: pure components and mixtures YC Liu, JD Moore, Q Chen, TJ Roussel, Q Wang, KE Gubbins
Proceedings of the Diffusion Fundamentals III Conference, 164-180, 2009
5 2009 Local order in undercooled liquid metals: A tight binding molecular dynamics approach T Roussel, C Mottet, C Bichara
Journal of non-crystalline solids 353 (32-40), 3679-3683, 2007
4 2007 Slow and fast (Fickian) diffusion modes for argon confined in BPL activated carbon JD Moore, JC Palmer, YC Liu, TJ Roussel, JK Brennan, KE Gubbins
2 2009