Ghoufi aziz
Ghoufi aziz
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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
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
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
Molecular Insight into the Adsorption of H2S 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
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
Molecular simulations of the -alkane liquid-vapor interface: Interfacial properties and their long range corrections
C Ibergay, A Ghoufi, F Goujon, P Ungerer, A Boutin, B Rousseau, ...
Physical Review E 75 (5), 051602, 2007
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
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
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, ...
Angewandte Chemie 121 (44), 8485-8489, 2009
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
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
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), 154716, 2008
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), 184710, 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
Mesoscale modeling of the water liquid-vapor interface: A surface tension calculation
A Ghoufi, P Malfreyt
Physical Review E 83 (5), 051601, 2011
Surface tension of water–alcohol mixtures from Monte Carlo simulations
F Biscay, A Ghoufi, P Malfreyt
The Journal of chemical physics 134 (4), 044709, 2011
Adsorption of light hydrocarbons in the flexible MIL-53 (Cr) and rigid MIL-47 (V) metal–organic frameworks: a combination of molecular simulations and microcalorimetry …
N Rosenbach Jr, A Ghoufi, I Deroche, PL Llewellyn, T Devic, S Bourrelly, ...
Physical Chemistry Chemical Physics 12 (24), 6428-6437, 2010
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
Separation of CO 2–CH 4 mixtures in the mesoporous MIL-100 (Cr) MOF: experimental and modelling approaches
L Hamon, N Heymans, PL Llewellyn, V Guillerm, A Ghoufi, S Vaesen, ...
Dalton Transactions 41 (14), 4052-4059, 2012
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
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