Study on the Relationship between the Hydrogen Bond and Damping Properties of Nitrile-Butadiene Rubber/Hindered Phenol Composites by Molecular Dynamics Simulation

2011 ◽  
Vol 410 ◽  
pp. 313-316 ◽  
Author(s):  
Tao Hu ◽  
Qiao Bo ◽  
Xiu Ying Zhao ◽  
Si Zhu Wu
Keyword(s):  
Hydrogen Bonds ◽  
Point Of View ◽  
Polymer Chains ◽  
Dynamics Simulation ◽  
Butadiene Rubber ◽  
Damping Properties ◽  
Fractional Free Volume ◽  
Nitrile Butadiene Rubber ◽  
Hindered Phenol ◽  
The Relationship

This work was try to study the relationship between the damping properties and the hydrogen bonds, fractional free volumes of nitrile-butadiene rubber (NBR)/hindered phenol (AO-80) composites from the microstructural point of view by combining the experimental and molecular simulation studies. The results indicated that the hydrogen bonds (HBs) were formed between AO-80 small molecules and NBR polymer chains. According to simulation results, because of the formed strongest HBs, highest binding energy and the smallest fractional free volume in the NBR/AO-80 composites with the blending ratio of 100/68, it contributed the maximum loss factor and highest modulus. It concluded that there was a suitable proportion of rubber blended with small hindered phenol molecules in the design of damping materials.

A Molecular Dynamics Simulation Study on the Relationship between Hydrogen Bond and Damping Properties of AO-70/NBR Composites

2017 ◽  
Vol 748 ◽  
pp. 29-34 ◽  
Author(s):  
Jing Zhu ◽  
Xiu Ying Zhao ◽  
Meng Song ◽  
Yue Han ◽  
Li Liu ◽  
...  
Keyword(s):  
Md Simulation ◽  
Type A ◽  
Dynamics Simulation ◽  
Butadiene Rubber ◽  
Damping Properties ◽  
Type B ◽  
Fractional Free Volume ◽  
Type C ◽  
Hindered Phenol ◽  
The Relationship

This work was try to study the number and types of hydrogen bonds (H-bonds) formed in hindered phenol AO-70/nitrile butadiene rubber (NBR) composites and their contributions to the damping properties by molecular dynamic (MD) simulation and experimental methods. MD simulation results showed that there were four types of H-bonds, namely, type A (AO-70) –OH...NC– (NBR) H-bonds in AO-70/NBR composites, type B (AO-70) –OH...O=C– (AO-70) H-bonds, type C (AO-70) –OH...OH–(AO-70) and D (AO-70) –OH...O–C– (AO-70) H-bonds, what's more, type A and type B H-Bonds formed more easily than others. Fourier transform infrared spectroscopy (FTIR) confirmed the existence of H-bonds. Meanwhile, the AO-70/NBR composites with AO-70 content of 109 phr had the largest number of H-bonds, smallest fractional free volume (FFV) and resulting in the optimistic damping performance of the composites.

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 Natural rubber/nitrile butadiene rubber/hindered phenol composites with high-damping properties

2015 ◽  
Vol 6 (4) ◽  
pp. 239-250 ◽  
Author(s):  
Xiuying Zhao ◽  
Jingna Yang ◽  
Detao Zhao ◽  
Yonglai Lu ◽  
Wencai Wang ◽  
...  
Keyword(s):  
Natural Rubber ◽  
Butadiene Rubber ◽  
Damping Properties ◽  
Nitrile Butadiene Rubber ◽  
Hindered Phenol

Molecular insights into hydrogen bonds in polyurethane/hindered phenol hybrids: evolution and relationship with damping properties

2014 ◽  
Vol 2 (22) ◽  
pp. 8545-8556 ◽  
Author(s):  
Kangming Xu ◽  
Fengshun Zhang ◽  
Xianlong Zhang ◽  
Qiaoman Hu ◽  
Hong Wu ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Md Simulation ◽  
Damping Properties ◽  
Property Variation ◽  
Damping Property ◽  
Hindered Phenol ◽  
The Relationship

By combining experiments and MD simulation, the relationship between hydrogen bond evolution and damping property variation of TPU was revealed.

Effects of chain polarity of hindered phenol on the damping properties of polymer-based hybrid materials: insights into the molecular mechanism

2020 ◽  
Vol 40 (5) ◽  
pp. 394-402
Author(s):  
Qiaoman Hu ◽  
Junhui Wang ◽  
Kangming Xu ◽  
Hongdi Zhou ◽  
Yue Huang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Mechanical Analysis ◽  
Dynamics Simulation ◽  
Damping Properties ◽  
Structure Variation ◽  
Hydrogen Bonding Interactions ◽  
Ft Ir ◽  
Hindered Phenol ◽  
Damping Materials ◽  
The Relationship

AbstractFor hindered phenol (HP)/polymer-based hybrid damping materials, the damping properties are greatly affected by the structure variation of HPs. However, the unclear relationship between them limits the exploitation of such promising materials. Therefore, three HPs with different chain polarity were synthesized to explore the relationship in this paper. The structures of the HPs were firstly confirmed by Nuclear Magnetic Resonance Spectrum, Fourier Transform Infrared Spectroscopy (FT-IR) and X-ray Diffraction (XRD). For further prepared HP/polyurethane hybrids, FT-IR and XRD were also adopted to confirm the hydrogen bonding interactions and micromorphologies. And, Molecular dynamics simulation was further used to characterize the effects of polarity variation on the hydrogen bonding interactions and chain packing of the hybrids in a quantitative manner. Then, combined with dynamic mechanical analysis, the relationship between the chain polarity variation of the hindered phenols and the damping properties was established.

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