Interfacial Interactions in a Model Composite Material: Insights into α → β Phase Transition of the Magnetite Reinforced Poly(Vinylidene Fluoride) Systems by All-Atom Molecular Dynamics Simulation

2021 ◽  
Vol 125 (39) ◽  
pp. 21635-21644
Author(s):  
Mehdi Sahihi ◽  
Andres Jaramillo-Botero ◽  
William A. Goddard ◽  
Fahmi Bedoui
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Composite Material ◽  
Molecular Dynamics Simulation ◽  
Vinylidene Fluoride ◽  
Dynamics Simulation ◽  
Interfacial Interactions ◽  
Model Composite ◽  
Β Phase ◽  
Poly Vinylidene Fluoride

Molecular investigation of oil–water separation using PVDF polymer by molecular dynamic simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (78) ◽  
pp. 74124-74134 ◽  
Author(s):  
Mehdi Darvishi ◽  
Masumeh Foroutan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Vinylidene Fluoride ◽  
Dynamics Simulation ◽  
Water Separation ◽  
Molecular Investigation ◽  
Poly Vinylidene Fluoride ◽  
Adsorption Of Water ◽  
Oil Water Separation ◽  
Oil Water

In this study, adsorption of water nanodroplets, oil nanodroplets and oil–water mixtures on a poly vinylidene fluoride (PVDF) surface is investigated using molecular dynamics simulation and a mechanism for adsorption of the droplets is proposed.

Adsorption of Bovine Serum Albumin on Poly(vinylidene fluoride) Surfaces in the Presence of Ions: A Molecular Dynamics Simulation

2018 ◽  
Vol 122 (6) ◽  
pp. 1919-1928 ◽  
Author(s):  
Abdul Rajjak Shaikh ◽  
Hamed Karkhanechi ◽  
Tomohisa Yoshioka ◽  
Hideto Matsuyama ◽  
Hiromitsu Takaba ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Vinylidene Fluoride ◽  
Dynamics Simulation ◽  
Poly Vinylidene Fluoride

Molecular dynamics simulation of the diffusion behavior of water in poly(vinylidene fluoride)/silica hybrid membranes

RSC Advances ◽  
2015 ◽  
Vol 5 (70) ◽  
pp. 57147-57154 ◽  
Author(s):  
Ruibing Bai ◽  
Huixia Wang ◽  
Pan Zhang ◽  
Bo Xiao ◽  
Bo Jiang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Vinylidene Fluoride ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Hybrid Membranes ◽  
Diffusion Behavior ◽  
Poly Vinylidene Fluoride ◽  
Silica Hybrid ◽  
Diffusion Properties

The effects of inorganic SiO2 particles on the diffusion properties of small penetrant molecules in PVDF/SiO2 hybrid membranes are investigated using MD simulations.

Molecular dynamics simulation of the pressure-induced phase transition in BaFCl

2002 ◽  
Vol 157 (6-12) ◽  
pp. 799-803 ◽  
Author(s):  
T. Kurobori ◽  
M. Liu ◽  
H. Tsunekawa ◽  
Y. Hirose ◽  
M. Takeuchi
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation
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