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keyword_s : Molecular simulation

Local description of surface tension through thermodynamic and mechanical definitions.

Aziz Ghoufi , Patrice Malfreyt
Molecular Simulation, 2013, 39 (8), pp.603-611. ⟨10.1080/08927022.2012.755529⟩
Article dans une revue hal-00828294v1

Computational Assessment of Water Desalination Performance of Multi-Walled Carbon Nanotubes

Aziz Ghoufi , Anthony Szymczyk
Advanced Theory and Simulations, 2020, 3 (4), pp.1900254. ⟨10.1002/adts.201900254⟩
Article dans une revue hal-02531083v1

Nanoconfined gases, liquids and liquid crystals in porous materials

Aziz Ghoufi
Molecular Simulation, 2014, 40 (7-9), pp.698-712. ⟨10.1080/08927022.2013.829218⟩
Article dans une revue hal-00944455v1
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Computational exploration of the performances of mechanically constrained MOFs for hydrocarbon separation

Hengli Zhao
Mechanics [physics]. Université Rennes 1, 2022. English. ⟨NNT : 2022REN1S051⟩
Thèse tel-03926873v1
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Thermal and Guest-Assisted Structural Transition in the NH₂-MIL-53(Al) Metal Organic Framework A Molecular Dynamics Simulation Investigation

Roald Boulé , Claire Roland , Laurent Le Pollès , Nathalie Audebrand , Aziz Ghoufi
Nanomaterials, 2018, 8 (7), pp.531. ⟨10.3390/nano8070531⟩
Article dans une revue hal-01862496v1

Molecular simulations of polyamide reverse osmosis membranes

Minxia Ding , Aziz Ghoufi , Anthony Szymczyk
Desalination, 2013, 343, pp.48-53. ⟨10.1016/j.desal.2013.09.024⟩
Article dans une revue hal-00876534v1
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Water nano-diffusion through the Nafion fuel cell membrane

B. Gilois , F. Goujon , A. Fleury , A. Soldera , Aziz Ghoufi
Journal of Membrane Science, 2020, 602, pp.117958. ⟨10.1016/j.memsci.2020.117958⟩
Article dans une revue hal-02535640v1

Interactions between methanol/toluene binary mixtures and an organic solvent nanofiltration PIM-1 membrane

M.-L. Ouinten , Anthony Szymczyk , Aziz Ghoufi
Journal of Molecular Liquids, 2022, 357, pp.119146. ⟨10.1016/j.molliq.2022.119146⟩
Article dans une revue hal-03660979v1