A combined experiment and molecular dynamics simulation study of hydrogen bonds and free volume in nitrile-butadiene rubber/hindered phenol damping mixtures

2012 ◽  
Vol 22 (24) ◽  
pp. 12339 ◽  
Author(s):  
Bo Qiao ◽  
Xiuying Zhao ◽  
Dongmei Yue ◽  
Liqun Zhang ◽  
Sizhu Wu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Free Volume ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Butadiene Rubber ◽  
Nitrile Butadiene Rubber ◽  
Hindered Phenol

Molecular-level insight of hindered phenol AO-70/nitrile-butadiene rubber damping composites through a combination of a molecular dynamics simulation and experimental method

RSC Advances ◽  
2016 ◽  
Vol 6 (89) ◽  
pp. 85994-86005 ◽  
Author(s):  
Xiuying Zhao ◽  
Geng Zhang ◽  
Feng Lu ◽  
Liqun Zhang ◽  
Sizhu Wu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Experimental Method ◽  
Molecular Level ◽  
Dynamics Simulation ◽  
Butadiene Rubber ◽  
Damping Properties ◽  
Nitrile Butadiene Rubber ◽  
Hindered Phenol

The damping properties of AO-70/NBR composites get a noteworthy increase with the introduction of AO-70—max tan δincreased by 66.9%.

Effect of acrylonitrile content on compatibility and damping properties of hindered phenol AO-60/nitrile-butadiene rubber composites: molecular dynamics simulation

RSC Advances ◽  
2014 ◽  
Vol 4 (89) ◽  
pp. 48472-48479 ◽  
Author(s):  
Meng Song ◽  
Xiuying Zhao ◽  
Yi Li ◽  
Tung W. Chan ◽  
Liqun Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulation ◽  
Butadiene Rubber ◽  
Damping Properties ◽  
Rubber Composites ◽  
Nitrile Butadiene Rubber ◽  
Hindered Phenol ◽  
Dynamics Simulations

By combining molecular dynamics simulations with experiment, the effect of acrylonitrile content on the compatibility and damping properties were investigated in the AO-60/nitrile-butadiene rubber composites.

scholarly journals Temperature dependence of the interfacial bonding characteristics of silica/styrene butadiene rubber composites: a molecular dynamics simulation study

RSC Advances ◽  
2019 ◽  
Vol 9 (68) ◽  
pp. 40062-40071 ◽  
Author(s):  
Yanlong Luo ◽  
Haobei Liu ◽  
Bo Xiang ◽  
Xianling Chen ◽  
Wei Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Temperature Dependence ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Styrene Butadiene Rubber ◽  
Butadiene Rubber ◽  
Rubber Composites ◽  
Styrene Butadiene ◽  
Bonding Characteristics

Temperature dependence of the interface between silica and styrene butadiene rubber modified by 3-mercaptopropionic acid was investigated by molecular dynamics simulation.

The influence of a type III antifreeze protein and its mutants on methane hydrate adsorption–inhibition: a molecular dynamics simulation study

2019 ◽  
Vol 21 (39) ◽  
pp. 21836-21846 ◽  
Author(s):  
Mitra Maddah ◽  
Mina Maddah ◽  
Kiana Peyvandi
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Dynamics Simulation ◽  
Hydrogen Bonds ◽  
Simulation Study ◽  
Methane Hydrate ◽  
Hydrophobic Interactions ◽  
Dynamics Simulation ◽  
Antifreeze Activity ◽  
Adsorption Inhibition

Antifreeze proteins inhibit hydrate growth by hydrophobic interactions in cooperation with hydrogen bonds. Mutation of three polar amino acids (Asn14, Thr18, and Gln44) elucidates the molecular mechanism of AFP III antifreeze activity.

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