Aziz Ghoufi: search on Z-Library

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1

Separation of CO2–CH4 mixtures in the mesoporous MIL-100(Cr) MOF: experimental and modelling approaches

Hamon, Lomig, Heymans, Nicolas, Llewellyn, Philip L., Guillerm, Vincent, Ghoufi, Aziz, Vaesen, Sébastien, Maurin, Guillaume, Serre, Christian, De Weireld, Guy, Pirngruber, Gerhard D.

Journal:

Dalton Transactions

Year:

2012

Language:

english

File:

PDF, 1.68 MB

english, 2012

2

Computation of the hindrance factor for the diffusion for nanoconfined ions: molecular dynamics simulations versus continuum-based models

Zhu, Haochen, Ghoufi, Aziz, Szymczyk, Anthony, Balannec, Béatrice, Morineau, Denis

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 647 KB

english, 2012

3

Influence of the pore length on the properties of water confined in a silica nanopore

Renou, Richard, Szymczyk, Anthony, Ghoufi, Aziz

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 496 KB

english, 2014

4

Symmetry breakings in a metal organic framework with a confined guest

Mariette, CÃ©line, Trzop, ElÅ¼bieta, Mevellec, Jean-Yves, Boucekkine, Abdou, Ghoufi, Aziz, Maurin, Guillaume, Collet, Eric, MuÃ±oz, M. Carmen, Real, JosÃ© Antonio, Toudic, Bertrand

Journal:

Physical Review B

Year:

2020

File:

PDF, 4.23 MB

2020

5

Importance of the tail corrections on surface tension of curved liquid-vapor interfaces

Ghoufi, Aziz, Malfreyt, Patrice

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 5.02 MB

english, 2017

6

Thermal and Guest-Assisted Structural Transition in the NH2-MIL-53(Al) Metal Organic Framework: A Molecular Dynamics Simulation Investigation

Boulé, Roald, Roland, Claire, Le Pollés, Laurent, Audebrand, Nathalie, Ghoufi, Aziz

Journal:

Year:

2018

Language:

english

File:

PDF, 4.49 MB

english, 2018

7

Water nano-diffusion through the Nafion fuel cell membrane

Gilois, Baptiste, Goujon, Florent, Fleury, Alexandre, Soldera, Armand, Ghoufi, Aziz

Journal:

Journal of Membrane Science

Year:

2020

File:

PDF, 9.30 MB

2020

8

Coarse-Graining the Liquid–Liquid Interfaces with the MARTINI Force Field: How Is the Interfacial Tension Reproduced?

Ndao, Makha, Devémy, Julien, Ghoufi, Aziz, Malfreyt, Patrice

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 4.08 MB

english, 2015

9

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

Hamon, Lomig, Leclerc, Hervé, Ghoufi, Aziz, Oliviero, Laetitia, Travert, Arnaud, Lavalley, Jean-Claude, Devic, Thomas, Serre, Christian, Férey, Gérard, De Weireld, Guy

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.06 MB

english, 2011

10

Molecular Dynamics Simulations of Nanofiltration Membranes: Construction and Microscopic Standpoint

Ding, M.D., Szymczyk, A.S., Ghoufi, A.G. Aziz

Journal:

Procedia Engineering

Year:

2012

File:

PDF, 554 KB

2012

11

How does the electronic continuum model perform in the prediction of the surface tension of salt solutions?

Neyt, Jean Claude, Wender, Aurélie, Lachet, Véronique, Szymczyk, Anthony, Ghoufi, Aziz, Malfreyt, Patrice

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

12

Optimisation of the dynamical behaviour of the anisotropic united atom model of branched alkanes: application to the molecular simulation of fuel gasoline

Nieto-Draghi, Carlos, Bocahut, Anthony, Creton, Benoît, Have, Pascal, Ghoufi, Aziz, Wender, Aurélie, Boutin, Anne, Rousseau, Bernard, Normand, Laurent

Journal:

Molecular Simulation

Year:

2008

Language:

english

File:

PDF, 624 KB

english, 2008

13

Anomalous Dynamics of a Nanoconfined Gas in a Soft Metal–Organics Framework

Boulé, Roald, Roiland, Claire, Bataille, Thierry, Le Pollés, Laurent, Audebrand, Nathalie, Ghoufi, Aziz

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

File:

PDF, 2.83 MB

2019

14

Pore dimensionality effects on the dynamics of a nanoconfined liquid-crystal

Qing Ji, Ronan Lefort, Aziz Ghoufi, Denis Morineau

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 694 KB

english, 2009

15

Configurational temperature and local properties of the anisotropic Gay–Berne liquid crystal model: Applications to the isotropic liquid/vapor interface and isotropic/nematic transition

Ghoufi, Aziz, Morineau, Denis, Lefort, Ronan, Malfreyt, Patrice

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 854 KB

english, 2011

16

Water confinement in nanoporous silica materials

Renou, Richard, Szymczyk, Anthony, Ghoufi, Aziz

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.08 MB

english, 2014

17

Contact angle and surface tension of water on a hexagonal boron nitride monolayer: a methodological investigation

Essafri, Ilham, Le breton, Jean-Christophe, Saint-Jalmes, Arnaud, Soldera, Armand, Szymczyk, Anthony, Malfreyt, Patrice, Ghoufi, Aziz

Journal:

Molecular Simulation

Year:

2018

Language:

english

File:

PDF, 1.98 MB

english, 2018

18

Transport Diffusivity of CO2 in the Highly Flexible Metal–Organic Framework MIL-53(Cr)

Fabrice Salles, Hervé Jobic, Aziz Ghoufi, Philip L. Llewellyn, Christian Serre, Sandrine Bourrelly, Gérard Férey, Guillaume Maurin

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 414 KB

english, 2009

19

Transport Diffusivity of CO2 in the Highly Flexible Metal–Organic Framework MIL-53(Cr)

Fabrice Salles, Hervé Jobic, Aziz Ghoufi, Philip L. Llewellyn, Christian Serre, Sandrine Bourrelly, Gérard Férey, Guillaume Maurin

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 414 KB

english, 2009

20

Role of MOF surface defects on the microscopic structure of MOF/polymer interfaces: A computational study of the ZIF-8/PIMs systems

Semino, Rocio, Ramsahye, Naseem A., Ghoufi, Aziz, Maurin, Guillaume

Journal:

Microporous and Mesoporous Materials

Year:

2017

Language:

english

File:

PDF, 1.96 MB

english, 2017

21

Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2 Adsorption

Fabrice Salles, Aziz Ghoufi, Guillaume Maurin, Robert G. Bell, Caroline Mellot-Draznieks, Gérard Férey

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 379 KB

english, 2008

22

Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models

Neyt, Jean-Claude, Wender, Aurélie, Lachet, Véronique, Ghoufi, Aziz, Malfreyt, Patrice

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.95 MB

english, 2013

23

Calculation of the surface tension of liquid copper from atomistic Monte Carlo simulations

Bourasseau, Emeric, Homman, Ahmed-Amine, Durand, Olivier, Ghoufi, Aziz, Malfreyt, Patrice

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2013

Language:

english

File:

PDF, 533 KB

english, 2013

24

Molecular simulations of polyamide reverse osmosis membranes

Ding, Minxia, Ghoufi, Aziz, Szymczyk, Anthony

Journal:

Year:

2014

Language:

english

File:

PDF, 646 KB

english, 2014

25

Size-effects on the surface tension near the critical point: Monte Carlo simulations of the Lennard-Jones fluid

Goujon, Florent, Ghoufi, Aziz, Malfreyt, Patrice

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 636 KB

english, 2018

26

Dynamic Heterogeneities in Liquid Mixtures Confined in Nanopores

Mhanna, Ramona, Catrou, Pierre, Dutta, Sujeet, Lefort, Ronan, Essafri, Ilham, Ghoufi, Aziz, Muthmann, Matthias, Zamponi, Michaela, Frick, Bernhard, Morineau, Denis

Journal:

Journal of Physical Chemistry B

Year:

2020

Language:

english

File:

PDF, 2.25 MB

english, 2020

27

Anomalous dynamics of water at the octopeptide lanreotide surface

Pinzan, Florian, Artzner, Franck, Ghoufi, Aziz

Journal:

Year:

2020

File:

PDF, 1016 KB

2020

28

China plans space station by 2020

Ding, Minxia, Ghoufi, Aziz, Szymczyk, Anthony

Journal:

Year:

2010

Language:

english

File:

PDF, 146 KB

english, 2010

29

Concentration Dependence of the Dielectric Permittivity, Structure, and Dynamics of Aqueous NaCl Solutions: Comparison between the Drude Oscillator and Electronic Continuum Models

Renou, Richard, Ding, Minxia, Zhu, Haochen, Szymczyk, Anthony, Malfreyt, Patrice, Ghoufi, Aziz

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 2.71 MB

english, 2014

30

Microscopic model of the MOF/Polymer interface: a first step towards understanding the compatibility in Mixed Matrix Membranes

Semino, Rocio, Ramsahye, Naseem A., Ghoufi, Aziz, Maurin, Guillaume

Journal:

ACS Applied Materials & Interfaces

Year:

2015

Language:

english

File:

PDF, 2.72 MB

english, 2015

31

How does the surface tension depend on the surface area with coarse-grained models ?

Goujon, Florent, Dequidt, Alain, Ghoufi, Aziz, Malfreyt, Patrice

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 865 KB

english, 2018

32

Co-adsorption and Separation of CO2−CH4 Mixtures in the Highly Flexible MIL-53(Cr) MOF

Llewellyn, Philip L., Devic, Thomas, Ghoufi, Aziz, Clet, Guillaume, Guillerm, Vincent, Pirngruber, Gerhard D., Maurin, Guillaume, Hamon, Lomig, Serre, Christian, Driver, Gordon

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 1.75 MB

english, 2009

33

Large breathing of the MOF MIL-47(VIV) under mechanical pressure: a joint experimental–modelling exploration

Yot, Pascal G., Ma, Qintian, Haines, Julien, Yang, Qingyuan, Ghoufi, Aziz, Devic, Thomas, Serre, Christian, Dmitriev, Vladimir, Férey, Gérard, Zhong, Chongli, Maurin, Guillaume

Journal:

Chemical Science

Year:

2012

Language:

english

File:

PDF, 337 KB

english, 2012

34

Structure and dynamics of water confined in a polyamide reverse-osmosis membrane: A molecular-simulation study

Ding, Minxia, Szymczyk, Anthony, Goujon, Florent, Soldera, Armand, Ghoufi, Aziz

Journal:

Journal of Membrane Science

Year:

2014

Language:

english

File:

PDF, 2.72 MB

english, 2014

35

Nanoconfined gases, liquids and liquid crystals in porous materials

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 830 KB

english, 2014

36

On the structure and rejection of ions by a polyamide membrane in pressure-driven molecular dynamics simulations

Ding, Minxia, Szymczyk, Anthony, Ghoufi, Aziz

Journal:

Year:

2015

Language:

english

File:

PDF, 1.34 MB

english, 2015

37

Calculation of the surface tension of water: 40 years of molecular simulations

Ghoufi, Aziz, Malfreyt, Patrice

Journal:

Molecular Simulation

Year:

2018

Language:

english

File:

PDF, 1.55 MB

english, 2018

38

Tailoring the separation properties of flexible metal-organic frameworks using mechanical pressure

Chanut, Nicolas, Ghoufi, Aziz, Coulet, Marie-Vanessa, Bourrelly, Sandrine, Kuchta, Bodgan, Maurin, Guillaume, Llewellyn, Philip L.

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.32 MB

2020

39

The kinetic friction coefficient of neutral and charged polymer brushes

Goujon, Florent, Ghoufi, Aziz, Malfreyt, Patrice, Tildesley, Dominic J.

Journal:

Year:

2013

Language:

english

File:

PDF, 600 KB

english, 2013

40

Guest-modulation of the mechanical properties of flexible porous metal–organic frameworks

Ma, Qintian, Yang, Qingyuan, Ghoufi, Aziz, Yang, Ke, Lei, Ming, Férey, Gérard, Zhong, Chongli, Maurin, Guillaume

Journal:

Journal of Materials Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.21 MB

english, 2014

41

Can we approach the gas–liquid critical point using slab simulations of two coexisting phases?

Goujon, Florent, Ghoufi, Aziz, Malfreyt, Patrice, Tildesley, Dominic J.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.44 MB

english, 2016

42

Quasi-Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr)

Nilton Rosenbach Jr., Hervé Jobic, Aziz Ghoufi, Fabrice Salles, Guillaume Maurin, Sandrine Bourrelly, Philip L. Llewellyn, Thomas Devic, Christian Serre, Gérard Férey

Journal:

Angewandte Chemie

Year:

2008

Language:

english

File:

PDF, 427 KB

english, 2008

43

Adsorption of n-alkane vapours at the water surface

Biscay, Frédéric, Ghoufi, Aziz, Malfreyt, Patrice

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.92 MB

english, 2011

44

Confinement of tert -Butanol Nanoclusters in Hydrophilic and Hydrophobic Silica Nanopores

Ghoufi, Aziz, Hureau, Ivanne, Morineau, Denis, Renou, Richard, Szymczyk, Anthony

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.76 MB

english, 2013

45

Numerical evidence of the formation of a thin microscopic film of methane at the water surface: a free energy calculation

Ghoufi, Aziz, Malfreyt, Patrice

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.03 MB

english, 2010

46

Unravelling the anomalous dielectric permittivity of nanoconfined electrolyte solutions

Renou, Richard, Szymczyk, Anthony, Ghoufi, Aziz

Journal:

Year:

2015

Language:

english

File:

PDF, 781 KB

english, 2015

47

Physical Properties and Hydrogen-Bonding Network of Water-Ethanol Mixtures from Molecular Dynamics Simulations

Ghoufi, Aziz, Artzner, Franck, Malfreyt, Patrice

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 4.64 MB

english, 2016

48

Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL-53(Cr) upon Thermal Activation and CO2 Adsorption

Fabrice Salles, Aziz Ghoufi, Guillaume Maurin, Robert G. Bell, Caroline Mellot-Draznieks, Gérard Férey

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 379 KB

english, 2008

49

Methodology for the Calculation of the Potential of Mean Force for a Cation–π Complex in Water

Aziz Ghoufi, Pierre Archirel, Jean-Pierre Morel, Nicole Morel-Desrosiers, Anne Boutin, Patrice Malfreyt

Journal:

Year:

2007

Language:

english

File:

PDF, 252 KB

english, 2007

50

Hydration of a polyamide reverse-osmosis membrane

Ding, Minxia, Szymczyk, Anthony, Ghoufi, Aziz

Journal:

Journal of Membrane Science

Year:

2016

Language:

english

File:

PDF, 1.11 MB

english, 2016

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