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Effect of Surface Modification of Nanoparticles on the Mechanical Properties of Highly Crosslinked Epoxy Nanocomposites: Mesoscopic Simulation

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Abstract

A mesoscopic model of a nanocomposite based on crosslinked polymer networks with embedded clay nanoparticles was developed. The model makes it possible to predict the main trends in changes in the mechanical properties of systems, taking into account the degree of crosslinking of nanoparticles with a polymer matrix. The performed simulations showed that modified nanoparticles can significantly improve the Young’s modulus of the nanocomposite compared to the unfilled polymer. It was also shown that the average value of the number of load-bearing chains determines the mechanical response of the coarse-grained model of the polymer system.

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REFERENCES

  1. Rudnik, E., Compostable Polymer Materials, Oxford: Elsevier, 2008.

    Google Scholar 

  2. Ray, S.S., Macromol. Chem. Phys., 2014, vol. 215, no. 12, pp. 1162–1179. https://doi.org/10.1002/macp.201400069

    Article  CAS  Google Scholar 

  3. Bhattacharya, M., Materials, 2016, vol. 9, no. 4, pp. 262–297. https://doi.org/10.3390/ma9040262

    Article  CAS  PubMed Central  Google Scholar 

  4. Jeyakumar, R., Sampath, P.S., Ramamoorthi, R., and Ramakrishnan, T., Int. J. Adv. Manuf. Technol., 2017, vol. 93, pp. 527–535. https://doi.org/10.1007/s00170-017-0565-x

    Article  Google Scholar 

  5. Shetty, N., Shahabaz, S.M., Sharma, S.S., and Shetty, S.D., Compos. Struct., 2017, vol. 176, pp. 790–802. https://doi.org/10.1016/j.compstruct.2017.06.012

    Article  Google Scholar 

  6. Gavrilov, A.A., Chertovich, A.V., Khalatur, P.G., and Khokhlov, A.R., Soft Matter, 2013, vol. 9, no. 15, pp. 4067–4072. https://doi.org/10.1039/c3sm27281h

    Article  CAS  Google Scholar 

  7. Komarov, P.V., Baburkin, P.O., Ivanov, V.A., Chen, S.-A., and Khokhlov, A.R., Dokl. Phys. Chem., 2019, vol. 485, no. 1, pp. 39–42. https://doi.org/10.1134/s0012501619030011

    Article  CAS  Google Scholar 

  8. Komarov, P.V., Khalatur, P.G., and Khokhlov, A.R., Polym. Adv. Technol., 2021, vol. 32, no. 10, pp. 3922–3933. https://doi.org/10.1002/pat.5354

    Article  CAS  Google Scholar 

  9. Groot, R.D. and Warren, P.B., J. Chem. Phys., 1997, vol. 107, no. 11, pp. 4423–4435. https://doi.org/10.1063/1.474784

    Article  CAS  Google Scholar 

  10. Capelot, M., Montarnal, D., Tournilhac, F., and Leibler, L., J. Am. Chem. Soc., 2012, vol. 134, no. 18, pp. 7664–7667. https://doi.org/10.1021/ja302894k

    Article  CAS  PubMed  Google Scholar 

  11. Zhang, B., Yuan, C., Zhang, W., Dunn, M.L., Qi, H.J., Liu, Z., Yu, K., and Ge, Q., RSC Adv., 2019, no. 9, pp. 5431–5437. https://doi.org/10.1039/c9ra00015a

  12. Gavrilov, A.A., Komarov, P.V., and Khalatur, P.G., Macromolecules, 2015, vol. 48, no. 1, pp. 206–212.

    Article  CAS  Google Scholar 

  13. DPD_chem package for modeling polymers and melts using the reaction version of dissipative particle dynamics. https://www.researchgate.net/project/DPDChem-Software. Accessed May 20, 2021.

  14. Bharadwaj, R.K., Mehrabi, A.R., Hamilton, C., Trujillo, C., Murga, M., Fan, R., Chavira, A., and Thompson, A.K., Polymer, 2002, vol. 43, no. 13, pp. 3699–3705. https://doi.org/10.1016/S0032-3861(02)00187-8

    Article  CAS  Google Scholar 

  15. Zaman, I., Nor, F.M., Manshoor, B., Khalid, A., and Araby, S., Proc. Manuf., 2015, vol. 2, p. 23. https://doi.org/10.1016/j.promfg.2015.07.005

    Article  Google Scholar 

  16. Zabihi, O., Ahmadi, M., and Naebe, M., Mater. Des., 2017, vol. 119, pp. 277–289. https://doi.org/10.1016/j.matdes.2017.01.079

    Article  CAS  Google Scholar 

  17. Sadovnichy, V., Tikhonravov, A., Voevodin, V., and Opanasenko, V., in Contemporary High Performance Computing: From Petascale toward Exascale, London: Chapman and Hall/CRC, 2013, pp. 283–307.

    Google Scholar 

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ACKNOWLEDGMENTS

We thank P.G. Khalatur for topological analysis software and DPD_NPT_chem and also A. A. Gavrilov for the dpdBig software.

Funding

This work was supported by the Ministry of Education and Science of the Russian Federation (agreement no. 075-15-2020-794) using facilities of the Supercomputer Complex, Moscow State University [17].

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Authors and Affiliations

  1. Tver State University, 170100, Tver, Russia

    M. D. Malyshev & P. V. Komarov

  2. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 119991, Moscow, Russia

    D. V. Guseva & P. V. Komarov

Authors
  1. M. D. Malyshev
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  2. D. V. Guseva
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  3. P. V. Komarov
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Corresponding author

Correspondence to D. V. Guseva.

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The authors declare no conflicts of interest.

Additional information

Translated by V. Glyanchenko

This article was submitted to the virtual issue “Young Scientists of the RAS.”

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Malyshev, M.D., Guseva, D.V. & Komarov, P.V. Effect of Surface Modification of Nanoparticles on the Mechanical Properties of Highly Crosslinked Epoxy Nanocomposites: Mesoscopic Simulation. Dokl Phys Chem 500, 92–96 (2021). https://doi.org/10.1134/S0012501621090025

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  • DOI: https://doi.org/10.1134/S0012501621090025

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