Co-adsorption and Separation of CO2 −CH4 Mixtures in the Highly Flexible MIL-53(Cr) MOF L Hamon, PL Llewellyn, T Devic, A Ghoufi, G Clet, V Guillerm, ...
Journal of the American Chemical Society 131 (47), 17490-17499, 2009
460 2009 Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL‐53(Cr) upon Thermal Activation and CO2 Adsorption F Salles, A Ghoufi, G Maurin, RG Bell, C Mellot‐Draznieks, G Férey
Angewandte Chemie International Edition 47 (44), 8487-8491, 2008
363 2008 Computer modelling of the surface tension of the gas–liquid and liquid–liquid interface A Ghoufi, P Malfreyt, DJ Tildesley
Chemical Society Reviews 45 (5), 1387-1409, 2016
221 2016 Large breathing of the MOF MIL-47 (V IV) under mechanical pressure: a joint experimental–modelling exploration PG Yot, Q Ma, J Haines, Q Yang, A Ghoufi, T Devic, C Serre, V Dmitriev, ...
Chemical Science 3 (4), 1100-1104, 2012
214 2012 Molecular Insight into the Adsorption of H2 S in the Flexible MIL-53(Cr) and Rigid MIL-47(V) MOFs: Infrared Spectroscopy Combined to Molecular Simulations L Hamon, H Leclerc, A Ghoufi, L Oliviero, A Travert, JC Lavalley, T Devic, ...
The Journal of Physical Chemistry C 115 (5), 2047-2056, 2011
189 2011 Quasi‐elastic neutron scattering and molecular dynamics study of methane diffusion in metal organic frameworks MIL‐47 (V) and MIL‐53 (Cr) N Rosenbach Jr, H Jobic, A Ghoufi, F Salles, G Maurin, S Bourrelly, ...
Angewandte Chemie International Edition 47 (35), 6611-6615, 2008
171 2008 Microscopic model of the metal–organic framework/polymer interface: a first step toward understanding the compatibility in mixed matrix membranes R Semino, NA Ramsahye, A Ghoufi, G Maurin
ACS applied materials & interfaces 8 (1), 809-819, 2016
162 2016 Structure and dynamics of water confined in a polyamide reverse-osmosis membrane: A molecular-simulation study M Ding, A Szymczyk, F Goujon, A Soldera, A Ghoufi
Journal of Membrane Science 458, 236-244, 2014
144 2014 Transport diffusivity of CO2 in the highly flexible metal-organic framework MIL-53 (Cr) F Salles, H Jobic, A Ghoufi, PL Llewellyn, C Serre, S Bourrelly, G Férey, ...
Angew. Chem., Int. Ed 48 (44), 8335-8339, 2009
140 2009 Hybrid Monte Carlo Simulations Combined with a Phase Mixture Model to Predict the Structural Transitions of a Porous Metal− Organic Framework Material upon Adsorption of Guest … A Ghoufi, G Maurin
The Journal of Physical Chemistry C 114 (14), 6496-6502, 2010
136 2010 Molecular simulations of the C Ibergay, A Ghoufi, F Goujon, P Ungerer, A Boutin, B Rousseau, ...
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 75 (5 …, 2007
125 2007 Electrically induced breathing of the MIL-53 (Cr) metal–organic framework A Ghoufi, K Benhamed, L Boukli-Hacene, G Maurin
ACS central science 3 (5), 394-398, 2017
124 2017 Adsorption of CO2, CH4 and their binary mixture in Faujasite NaY: A combination of molecular simulations with gravimetry–manometry and microcalorimetry measurements A Ghoufi, L Gaberova, J Rouquerol, D Vincent, PL Llewellyn, G Maurin
Microporous and Mesoporous Materials 119 (1-3), 117-128, 2009
124 2009 Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation A Ghoufi, P Malfreyt
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 83 (5 …, 2011
123 2011 Physical properties and hydrogen-bonding network of water–ethanol mixtures from molecular dynamics simulations A Ghoufi, F Artzner, P Malfreyt
The Journal of Physical Chemistry B 120 (4), 793-802, 2016
117 2016 Surface tension of water and acid gases from Monte Carlo simulations A Ghoufi, F Goujon, V Lachet, P Malfreyt
The Journal of chemical physics 128 (15), 2008
113 2008 Tailoring the separation properties of flexible metal-organic frameworks using mechanical pressure N Chanut, A Ghoufi, MV Coulet, S Bourrelly, B Kuchta, G Maurin, ...
Nature communications 11 (1), 1216, 2020
109 2020 Calculation of the surface tension from Monte Carlo simulations: Does the model impact on the finite-size effects? F Biscay, A Ghoufi, F Goujon, V Lachet, P Malfreyt
The Journal of chemical physics 130 (18), 2009
109 2009 Comparative guest, thermal, and mechanical breathing of the porous metal organic framework MIL-53 (Cr): a computational exploration supported by experiments A Ghoufi, A Subercaze, Q Ma, PG Yot, Y Ke, I Puente-Orench, T Devic, ...
The Journal of Physical Chemistry C 116 (24), 13289-13295, 2012
107 2012 Surface tension of water–alcohol mixtures from Monte Carlo simulations F Biscay, A Ghoufi, P Malfreyt
The Journal of Chemical Physics 134 (4), 2011
102 2011