Formation Mechanism of the Spiral-Like Structure of a Hydrogen Bond Network Confined in a Fluorinated Nanochannel: A Molecular Dynamics Simulation

2017 ◽  
Vol 121 (25) ◽  
pp. 13840-13847 ◽  
Author(s):  
Ning Zhang ◽  
Yuechun Song ◽  
Jun Huo ◽  
Yan Li ◽  
Zhao Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Molecular Dynamics Simulation ◽  
Formation Mechanism ◽  
Dynamics Simulation ◽  
Hydrogen Bond Network ◽  
Bond Network

scholarly journals Formation mechanism of bound rubber in elastomer nanocomposites: a molecular dynamics simulation study

RSC Advances ◽  
2018 ◽  
Vol 8 (23) ◽  
pp. 13008-13017 ◽  
Author(s):  
Jun Liu ◽  
Haixiao Wan ◽  
Huanhuan Zhou ◽  
Yancong Feng ◽  
Liqun Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Formation Mechanism ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Bound Rubber ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

The formation mechanism of the bound rubber in elastomer nanocomposites using the coarse-grained molecular-dynamics simulations.

Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation

Soft Matter ◽  
2020 ◽  
Vol 16 (10) ◽  
pp. 2605-2610 ◽  
Author(s):  
Kun Jiang ◽  
Xiaomin Liu ◽  
Hongyan He ◽  
Jianji Wang ◽  
Suojiang Zhang
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Formation Mechanism ◽  
Dynamics Simulation ◽  
Unilamellar Vesicles ◽  
Insight Into

The formation mechanism and permeability properties of [C12mim][Sal] vesicles are investigated by molecular dynamics simulation.

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