GNs/MOF-based mixed matrix membranes for gas separations

A Mohamed, S Yousef, V Makarevicius… - International Journal of …, 2023 - Elsevier
NU-1000 and graphene nanosheet (GNs) with different loadings have been used as fillers to
prepare mixed matrix membranes (MMMs) with polyethersulfone (PES). The high …

Selectivity enhancement by the presence of HOF+ CNT composite membranes investigated by non-equilibrium molecular dynamics

J Xu, D Yang, H Zhang, M Guan, Q Li, M Cai… - Separation and …, 2024 - Elsevier
Hydrogen purification through membrane separation offers convenience and suitability for
on-site operation, especially in automotive fuel cells that utilize reformed methanol as a …

Unveiling gas transport mechanisms in tunable MXene nanochannels: Insights from molecular dynamics simulations

X Qiu, Y Zheng, H Li, K Qu, H Yan, R Li - Journal of Membrane Science, 2025 - Elsevier
MXene-based membranes have shown tremendous potential in gas separation
applications. Here, molecular dynamics (MD) simulations are used to investigate the effects …

Research Progress of Carbon Molecular Sieve Membranes suitable for Hydrogen Separation

X Han, J Tang, R Kong, H Xue, W Wang - Microporous and Mesoporous …, 2024 - Elsevier
In order to achieve widespread application of hydrogen in various fields, separating and
purifying it from hydrogen-containing mixtures is crucial for the production of H 2. Currently …

Efficient helium separation through SIFSIX-3-Cu membrane: a molecular dynamics study

H Rezaei, H Erfan-Niya, J Azamat, S Pakdel - Computational Materials …, 2023 - Elsevier
Helium is usually recovered from natural gas, which is mainly consisted of methane (CH 4).
In this work, we investigated the ability of the SIFSIX-3-Cu membrane for separating of …

Investigating the helium purification performance of Si-RHO zeolite membrane at the atomistic scale

F Ghasemi, S Pakdel, J Azamat… - Theoretical Chemistry …, 2023 - Springer
Natural gas, consisting primarily of methane, is currently the most viable source of helium.
Besides, as attractive and versatile materials, zeolites are crucial to a variety of industrial …

High-efficient helium purification through a novel Si-PWN zeolite membrane: Insights from molecular simulations

M Mohammadzadeh, S Pakdel, J Azamat… - Computational Materials …, 2024 - Elsevier
Zeolites are recognized as a proper nanoporous material for gas separation. In this study,
we employed molecular dynamics simulations to investigate the performance of the pure …

Highly efficient helium purification through a dual-membrane system: insights from molecular dynamics simulations

S Pakdel, H Erfan-Niya, J Azamat… - Physical Chemistry …, 2023 - pubs.rsc.org
Almost all helium is resourced from natural gas reservoirs. Hence, it is essential to develop
new efficient technologies to recover helium from natural gas. In this work, we propose a …

Effect of strain engineering on the highly controllable H2 purification performance of graphenylene-like boron nitride membranes: DFT calculations and MD …

W Guo, Q Hou, Z Liu, Y Yong, H Cui, S Huang, X Li… - Surfaces and …, 2024 - Elsevier
To obtain high-purity hydrogen for industrial applications, it is highly desirable to separate
and purify hydrogen from byproduct gases in hydrogen preparation. DFT calculations and …

Atomistic understanding on desalination performance of pristine graphenylene nanosheet membrane at high applied pressures

M Jahangirzadeh, NK Bajgiran, S Majidi… - Journal of Molecular …, 2024 - Elsevier
Molecular dynamics (MD) simulations are conducted to assess pristine graphenylene
membranes' effectiveness in seawater desalination, explicitly focusing on their salt rejection …