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Conformational relaxation of ethylene-propylene-diene terpolymer at a solid interface

Polymer Journal volume 55, pages 683–690 (2023)Cite this article

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Abstract

The relaxation of the local conformation of ethylene-propylene-diene terpolymer (EPDM) rubber at the quartz interface was examined by sum frequency generation (SFG) spectroscopy in conjunction with all-atom molecular dynamics (MD) simulations. At room temperature, SFG peaks due to the CH symmetric stretching vibration of methyl (CH3s) and methylene (CH2s) groups were observed, and the intensity was stronger for CH3s than for CH2s. The CH3s to CH2s intensity ratio was reversed during the heating process, meaning that the local conformation of EPDM at the interface changed. MD simulations revealed that the fraction of ethylene units in the trans conformation on the substrate surface decreased once the temperature was greater the interfacial glass transition temperature (Tg), which was determined based on the temperature dependence of the mass density. Moreover, the temperature-induced change in the fraction of propylene units in the trans conformation was less remarkable than that of ethylene units. Both SFG spectroscopy and MD simulation confirmed that the Tg was higher in the interfacial region than in the bulk.

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Acknowledgements

We wish to thank Prof. Daisuke Kawaguchi of Kyushu University for fruitful discussions and are also grateful for support from the JST-Mirai Program (JPMJMI18A2). The authors also thank Mr. Kotaro Ichino (Mitsui Chemicals Inc.) for his great cooperation in our research.

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Authors and Affiliations

  1. Mitsui Chemicals Inc., Chiba, 299-0265, Japan

    Kiminori Uchida & Kazuki Mita

  2. Department of Applied Chemistry, Kyushu University, Fukuoka, 819-0395, Japan

    Kiminori Uchida & Keiji Tanaka

  3. Comprehensive Research Organization for Science and Society (CROSS), Tokai, Ibaraki, 319-1106, Japan

    Kazuki Mita

  4. Center for Polymer Interface and Molecular Adhesion Science, Kyushu University, Fukuoka, 819-0395, Japan

    Satoru Yamamoto & Keiji Tanaka

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  1. Kiminori Uchida
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Correspondence to Kiminori Uchida, Satoru Yamamoto or Keiji Tanaka.

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Uchida, K., Mita, K., Yamamoto, S. et al. Conformational relaxation of ethylene-propylene-diene terpolymer at a solid interface. Polym J 55, 683–690 (2023). https://doi.org/10.1038/s41428-023-00764-x

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