CEA Paris-Saclay
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Effect of sodium oxide modifier on structural and elastic properties of silicate glass
H Jabraoui, Y Vaills, A Hasnaoui, M Badawi, S Ouaskit
The Journal of Physical Chemistry B 120 (51), 13193-13205, 2016
Molecular dynamics simulation of thermodynamic and structural properties of silicate glass: Effect of the alkali oxide modifiers
H Jabraoui, EM Achhal, A Hasnaoui, JL Garden, Y Vaills, S Ouaskit
Journal of Non-Crystalline Solids 448, 16-26, 2016
Selective capture of phenol from biofuel using protonated faujasite zeolites with different Si/Al ratios
I Khalil, H Jabraoui, G Maurin, S Lebègue, M Badawi, K Thomas, F Maugé
The Journal of Physical Chemistry C 122 (46), 26419-26429, 2018
Proton mobility, intrinsic acid strength, and acid site location in zeolites revealed by varying temperature infrared spectroscopy and density functional theory studies
P Losch, HR Joshi, O Vozniuk, A Grünert, C Ochoa-Hernández, ...
Journal of the American Chemical Society 140 (50), 17790-17799, 2018
Thermodynamic and structural properties of binary calcium silicate glasses: insights from molecular dynamics
H Jabraoui, M Malki, A Hasnaoui, M Badawi, S Ouaskit, S Lebègue, ...
Physical Chemistry Chemical Physics 19 (29), 19083-19093, 2017
Adsorption of volatile organic and iodine compounds over silver-exchanged mordenites: A comparative periodic DFT study for several silver loadings
H Jabraoui, EP Hessou, S Chibani, L Cantrel, S Lebègue, M Badawi
Applied Surface Science 485, 56-63, 2019
Ab Initio screening of cation-exchanged zeolites for biofuel purification
H Jabraoui, I Khalil, S Lebègue, M Badawi
Molecular Systems Design & Engineering, 2019
Modeling and simulations of nanofluids using classical molecular dynamics: Particle size and temperature effects on thermal conductivity
EM Achhal, H Jabraoui, S Zeroual, H Loulijat, A Hasnaoui, S Ouaskit
Advanced Powder Technology 29 (10), 2434-2439, 2018
Selective elimination of phenol from hydrocarbons by zeolites and silica-based adsorbents—Impact of the textural and acidic properties
I Khalil, K Thomas, H Jabraoui, P Bazin, F Maugé
Journal of hazardous materials 384, 121397, 2020
A first principle evaluation of the adsorption mechanism and stability of volatile organic compounds into NaY zeolite
EP Hessou, H Jabraoui, MTAK Hounguè, JB Mensah, M Pastore, ...
Zeitschrift für Kristallographie-Crystalline Materials 234 (7-8), 469-482, 2019
Elastic and structural properties of low silica calcium aluminosilicate glasses from molecular dynamics simulations
H Jabraoui, M Badawi, S Lebègue, Y Vaills
Journal of Non-Crystalline Solids 499, 142-152, 2018
Evaluation of the Inhibiting effect of organic compounds on the adsorption of iodine compounds in cation-exchanged zeolites: a DFT Study
E Hessou, H Jabraoui, M Chebbi, S Chibani, L Cantrel, M Badawi
Euro-Mediterranean Conference for Environmental Integration, 107-109, 2017
Biofuel purification: Coupling experimental and theoretical investigations for efficient separation of phenol from aromatics by zeolites
I Khalil, H Jabraoui, S Lebègue, WJ Kim, LJ Aguilera, K Thomas, F Maugé, ...
Chemical Engineering Journal 402, 126264, 2020
Determination of the entropy production during glass transition: theory and experiment
H Jabraoui, S Ouaskit, J Richard, JL Garden
Journal of Non-Crystalline Solids 533, 119907, 2020
Adsorption of phenol in zeolites: multi-technique modeling
H Jabraoui, G Maurin, S Lebègue, I Khalil, K Thomas, F Maugé, M Badawi
APS 2019, V31. 005, 2019
Mesoporous materials from SiO2 and NiTiO3
E Achhal, H Jabraoui, S Ouaskit, A Gibaud
Molecular Crystals and Liquid Crystals 634 (1), 121-129, 2016
Structure-Elasticity Relationship of Potassium Silicate Glasses from Brillouin Light Scattering Spectroscopy and Molecular Dynamics Simulations
EM Ghardi, H Jabraoui, M Badawi, A Hasnaoui, S Ouaskit, YP Vaills
The Journal of Physical Chemistry B, 2020
Etude théorique de l'adsorption sélective du phénol par des matériaux zéolithiques pour la purification des biocarburants
H Jabraoui
Université de Lorraine, 2019
Molecular Dynamics Simulations of the Elastic and Structural Properties of Calcium Aluminate Glass: Effects of Low Silica Contents
H Jabraoui, M Badawi, A Hasnaoui, S Ouaskit, Y Vaills, HJ Team
APS 2019, L70. 375, 2019
Design of an optimized zeotype material for biofuel purification by a combined experimental and theoretical approach
I Khalil, H Jabraoui, M Badawi, S Lebègue, K Thomas, F Maugé
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