Controlled Release of Novel Volatile Corrosion Inhibitor (VCI) Nanoparticles Incorporated in Low Density Polyethylene (LDPE) Films for Steel Coverings: Correlation of Experimental Results with Molecular Dynamics Simulation

2020 ◽  
pp. 1-19
Author(s):  
Fatemeh Basitnezhad ◽  
Hassan Ebadi-Dehaghani
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Controlled Release ◽  
Corrosion Inhibitor ◽  
Experimental Results ◽  
Dynamics Simulation ◽  
Low Density Polyethylene ◽  
Low Density ◽  
Volatile Corrosion Inhibitor

The crystallization of low-density polyethylene: a molecular dynamics simulation

Polymer ◽  
2002 ◽  
Vol 43 (11) ◽  
pp. 3223-3227 ◽  
Author(s):  
Xiu-bin Zhang ◽  
Ze-sheng Li ◽  
Zhong-yuan Lu ◽  
Chia-Chung Sun
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Low Density Polyethylene ◽  
Low Density

scholarly journals Molecular Dynamics Simulation of Corrosive Medium Diffusion in Corrosion Inhibitor Membrane

2010 ◽  
Vol 26 (11) ◽  
pp. 3041-3046 ◽  
Author(s):  
QIAO Gui-Min ◽  
◽  
REN Zhen-Jia ◽  
ZHANG Jun ◽  
HU Song-Qing ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Corrosion Inhibitor ◽  
Corrosive Medium ◽  
Dynamics Simulation

scholarly journals Molecular Dynamics Simulation of Nanoscale Channel Flows with Rough Wall Using the Virtual-Wall Model

2018 ◽  
Vol 2018 ◽  
pp. 1-7
Author(s):  
Xiaohui Lin ◽  
Fu-bing Bao ◽  
Xiaoyan Gao ◽  
Jiemin Chen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Flow ◽  
Roughness Element ◽  
Fluid Velocity ◽  
Flow Characteristics ◽  
Rough Wall ◽  
Dynamics Simulation ◽  
Low Density ◽  
Wall Model

Molecular dynamics simulation is adopted in the present study to investigate the nanoscale gas flow characteristics in rough channels. The virtual-wall model for the rough wall is proposed and validated. The computational efficiency can be improved greatly by using this model, especially for the low-density gas flow in nanoscale channels. The effect of roughness element geometry on flow behaviors is then studied in detail. The fluid velocity decreases with the increase of roughness element height, while it increases with the increases of element width and spacing.

Sign in / Sign up

Export Citation Format

Share Document