Molecular Dynamics Simulations of CO2/N2Separation through Two-Dimensional Graphene Oxide Membranes

2016 ◽  
Vol 120 (45) ◽  
pp. 26061-26066 ◽  
Author(s):  
Wen Li ◽  
Xin Zheng ◽  
Zihan Dong ◽  
Chuanyong Li ◽  
Wensen Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulations ◽  
Two Dimensional ◽  
Dynamics Simulations ◽  
Oxide Membranes ◽  
Graphene Oxide Membranes

Two-dimensional graphene oxide membrane for H2/CH4 separation: Insights from molecular dynamics simulations

2017 ◽  
Vol 42 (52) ◽  
pp. 30653-30660 ◽  
Author(s):  
Haixia Zheng ◽  
Lei Zhu ◽  
Daliang He ◽  
Tianchao Guo ◽  
Xiaofang Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulations ◽  
Two Dimensional ◽  
Dynamics Simulations ◽  
Oxide Membrane

Substrate induced freezing, melting and depinning transitions in two-dimensional liquid crystalline systems

2022 ◽  
Author(s):  
Bharti bharti ◽  
Debabrata Deb
Keyword(s):  
Molecular Dynamics ◽  
Liquid Crystals ◽  
Molecular Dynamics Simulations ◽  
Liquid Crystalline ◽  
Two Dimensional ◽  
One Dimensional ◽  
The One ◽  
Dynamics Simulations

We use molecular dynamics simulations to investigate the ordering phenomena in two-dimensional (2D) liquid crystals over the one-dimensional periodic substrate (1DPS). We have used Gay-Berne (GB) potential to model the...

Electric field modulated ion-sieving effects of graphene oxide membranes

2021 ◽  
Vol 9 (1) ◽  
pp. 244-253
Author(s):  
Zhi Yi Leong ◽  
Zhaojun Han ◽  
Guangzhao Wang ◽  
Dong-Sheng Li ◽  
Shengyuan A. Yang ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Energy Storage ◽  
Water Treatment ◽  
Electric Field ◽  
Research Field ◽  
Selective Separation ◽  
Two Dimensional ◽  
Potential Applications ◽  
Oxide Membranes ◽  
Graphene Oxide Membranes

Precise and selective separation of ions using two-dimensional (2D) laminar membranes is a budding research field with potential applications in water treatment, desalination, sensing, biomimicry and energy storage.

Molecular dynamics simulations on the dynamics of two-dimensional rounded squares

2018 ◽  
Vol 27 (8) ◽  
pp. 088203 ◽  
Author(s):  
Zhang-lin Hou ◽  
Ying Ju ◽  
Yi-wu Zong ◽  
Fang-fu Ye ◽  
Kun Zhao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Two Dimensional ◽  
Dynamics Simulations

Scattering patterns and stress–strain relations on phase-separated ABA block copolymers under uniaxial elongating simulations

Soft Matter ◽  
2019 ◽  
Vol 15 (5) ◽  
pp. 926-936 ◽  
Author(s):  
Katsumi Hagita ◽  
Keizo Akutagawa ◽  
Tetsuo Tominaga ◽  
Hiroshi Jinnai
Keyword(s):  
Molecular Dynamics ◽  
Block Copolymers ◽  
Molecular Dynamics Simulations ◽  
Coarse Grained ◽  
Two Dimensional ◽  
Stress Strain ◽  
Uniaxial Stretching ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

To develop molecularly based interpretations of the two-dimensional scattering patterns (2DSPs) of phase-separated block copolymers (BCPs), we performed coarse-grained molecular dynamics simulations of ABA tri-BCPs under uniaxial stretching for block-fractions where the A-segment (glassy domain) is smaller than the B-segment (rubbery domain), and estimated the behaviour of their 2DSPs.

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