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Investigation of the damping properties of hindered phenol AO-80/polyacrylate hybrids using molecular dynamics simulations in combination with experimental methods

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Abstract

Hindered phenol AO-80/polyacrylate rubber damping hybrids are novel damping materials. They were fabricated to study the influence of the content of the hindered phenol AO-80 on their damping performance and mechanical properties. Molecule dynamics (MD) simulation, a molecular-level method, was applied to elucidate the microstructure and mechanism of the hybrids through the radial distribution function (RDF), fractional free volume (FFV), and cohesive energy density (CED). MD simulation results revealed that three types of hydrogen bonds, namely, type A (AO-80)–OH···O=C-(ACM), type B (AO-80)–OH···O=C–(AO-80), and type C (AO-80)–OH···OH–(AO-80), were formed in the AO-80/ACM hybrids. Meanwhile, the experimental results using positron annihilation lifetime spectrometry (PALS), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), and dynamic mechanical thermal analysis (DMTA) found that the introduction of AO-80 could remarkably improve the damping properties of the hybrids, including an increase in the glass transition temperature (T g) as well as the loss factor (tan δ).

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Abbreviations

AO-80:

3-(1,1-Dimethylethyl)-4-hydroxy-5-methyl-benzenepropanoic acid 2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diylbis(2,2-dimethyl-2,1-ethanediyl) ester

ACM:

Polyacrylate rubber

MD:

Molecular dynamics

RDF:

Radial distribution function

FFV:

Fractional free volume

PALS:

Positron annihilation lifetime spectrometry

CED:

Cohesive energy density

DSC:

Differential scanning calorimetry

FTIR:

Fourier transform infrared spectroscopy

DMTA:

Dynamic mechanical thermal analysis

T g :

Glass transition temperature

tan δ :

Loss factor

ps:

Picosecond

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Acknowledgements

The financial supports of the National Natural Science Foundation of China under Grant No. 51473012, 51320105012, and National Science and Technology Supporting Plan under Grant No. 2014BAE14B01 are gratefully acknowledged.

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Authors and Affiliations

  1. State Key Laboratory of Organic–Inorganic Composites, Beijing University of Chemical Technology, Beijing, People’s Republic of China

    Dawei Yang, Liqun Zhang & Sizhu Wu

  2. Beijing Engineering Research Center of Advanced Elastomers, Beijing, 100029, People’s Republic of China

    Xiuying Zhao, Liqun Zhang & Sizhu Wu

  3. Department of Materials Science and Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA, 24061, USA

    Tung Chan

Authors
  1. Dawei Yang
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  2. Xiuying Zhao
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  3. Tung Chan
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  4. Liqun Zhang
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  5. Sizhu Wu
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Correspondence to Sizhu Wu.

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Yang, D., Zhao, X., Chan, T. et al. Investigation of the damping properties of hindered phenol AO-80/polyacrylate hybrids using molecular dynamics simulations in combination with experimental methods. J Mater Sci 51, 5760–5774 (2016). https://doi.org/10.1007/s10853-016-9878-7

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  • DOI: https://doi.org/10.1007/s10853-016-9878-7

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