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Surface free energy calculation of the solid–fluid interfaces from molecular simulation

AIP advances, 2024-04, Vol.14 (4), p.045116-045116-14

Ghoufi, Aziz

2024

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Microscopic insight into the shaping of MOFs and its impact on CO2 capture performance

Chemical science (Cambridge), 2023-10, Vol.14 (38), p.10435-10445

2023

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

Nature communications, 2020-03, Vol.11 (1), p.1216-1216, Article 1216

2020

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Ultrafast diffusion of Ionic Liquids Confined in Carbon Nanotubes

Scientific reports, 2016-06, Vol.6 (1), p.28518-28518, Article 28518

2016

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

Journal of membrane science, 2014-05, Vol.458, p.236-244

2014

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Microscopic Model of the Metal–Organic Framework/Polymer Interface: A First Step toward Understanding the Compatibility in Mixed Matrix Membranes

ACS applied materials & interfaces, 2016-01, Vol.8 (1), p.809-819

2016

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

Desalination, 2015-07, Vol.368, p.76-80

2015

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Tuning the hexane isomer separation performances of Zeolitic Imidazole Framework-8 using mechanical pressure

The Journal of chemical physics, 2021-02, Vol.154 (8), p.084702-084702

2021

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Cutting-edge molecular modelling to unveil new microscopic insights into the guest-controlled flexibility of metal-organic frameworks

Chemical science (Cambridge), 2022-12, Vol.13 (48), p.14336-14345

2022

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Associated molecular liquids at the graphene monolayer interface

The Journal of chemical physics, 2021-03, Vol.154 (10), p.104504-104504

2021

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

The Journal of chemical physics, 2017-02, Vol.146 (8), p.084703-084703

2017

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Calculation of the interfacial tension of the graphene-water interaction by molecular simulations

The Journal of chemical physics, 2019-01, Vol.150 (1), p.014703-014703

2019

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Anomalous dynamics of water at the octopeptide lanreotide surface

RSC advances, 2020-09, Vol.1 (56), p.3393-3391

2020

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Interactions of Organics within Hydrated Selective Layer of Reverse Osmosis Desalination Membrane: A Combined Experimental and Computational Study

Environmental science & technology, 2017-03, Vol.51 (5), p.2714-2719

2017

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Superpermittivity of nanoconfined water

The Journal of chemical physics, 2015-05, Vol.142 (18), p.184706-184706

2015

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Water confinement in nanoporous silica materials

The Journal of chemical physics, 2014-01, Vol.140 (4), p.044704-044704

2014

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Pressure-driven molecular dynamics simulations of water transport through a hydrophilic nanochannel

Molecular physics, 2016-09, Vol.114 (18), p.2655-2663

2016

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Electrically Induced Breathing of the MIL-53(Cr) Metal–Organic Framework

ACS central science, 2017-05, Vol.3 (5), p.394-398

2017

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Dynamics of water confined in mesopores with variable surface interaction

The Journal of chemical physics, 2021-03, Vol.154 (9), p.094505-094505

2021

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

Journal of molecular liquids, 2022-07, Vol.357, p.119146, Article 119146

2022

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

Nature communications, 2021-02, Vol.12 (1), p.1181-1181, Article 1181

2021

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Adsorption and dynamics of linear and mono-branched hexane isomers in MIL-140 metal-organic frameworks

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (17), p.1257-1264

2023

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Coarse-grained modeling of the oil–water–surfactant interface through the local definition of the pressure tensor and interfacial tension

Theoretical chemistry accounts, 2017, Vol.136 (1), p.1-13, Article 21

2017

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Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?

Molecular physics, 2022-04, Vol.120 (8)

2022

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

Journal of the American Chemical Society, 2009-12, Vol.131 (47), p.17490-17499

2009

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Surface free energy calculation of the solid–fluid interfaces from molecular simulation

Microscopic insight into the shaping of MOFs and its impact on CO2 capture performance

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

Ultrafast diffusion of Ionic Liquids Confined in Carbon Nanotubes

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

Microscopic Model of the Metal–Organic Framework/Polymer Interface: A First Step toward Understanding the Compatibility in Mixed Matrix Membranes

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

Tuning the hexane isomer separation performances of Zeolitic Imidazole Framework-8 using mechanical pressure

Cutting-edge molecular modelling to unveil new microscopic insights into the guest-controlled flexibility of metal-organic frameworks

Associated molecular liquids at the graphene monolayer interface

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

Calculation of the interfacial tension of the graphene-water interaction by molecular simulations

Anomalous dynamics of water at the octopeptide lanreotide surface

Interactions of Organics within Hydrated Selective Layer of Reverse Osmosis Desalination Membrane: A Combined Experimental and Computational Study

Superpermittivity of nanoconfined water

Water confinement in nanoporous silica materials

Pressure-driven molecular dynamics simulations of water transport through a hydrophilic nanochannel

Electrically Induced Breathing of the MIL-53(Cr) Metal–Organic Framework

Dynamics of water confined in mesopores with variable surface interaction

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

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

Adsorption and dynamics of linear and mono-branched hexane isomers in MIL-140 metal-organic frameworks

Coarse-grained modeling of the oil–water–surfactant interface through the local definition of the pressure tensor and interfacial tension

Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?

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

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