Model Approach to Thermal Conductivity in Hybrid Graphene-Polymer Nanocomposites

Andriy B Nadtochiy; Alla M Gorb; Borys M Gorelov; Oleksiy I Polovina; Oleg Korotchenkov; Viktor Schlosser

doi:10.3390/molecules28217343

Model Approach to Thermal Conductivity in Hybrid Graphene-Polymer Nanocomposites

Molecules. 2023 Oct 30;28(21):7343. doi: 10.3390/molecules28217343.

Authors

Andriy B Nadtochiy¹, Alla M Gorb¹, Borys M Gorelov², Oleksiy I Polovina¹, Oleg Korotchenkov^{1

3}, Viktor Schlosser⁴

Affiliations

¹ Faculty of Physics, Taras Shevchenko National University of Kyiv, 01601 Kyiv, Ukraine.
² Chuiko Institute of Surface Chemistry, NAS of Ukraine, 17 General Naumov Str., 03164 Kyiv, Ukraine.
³ Erwin Schrödinger International Institute for Mathematics and Physics, University of Vienna, 1090 Vienna, Austria.
⁴ Department of Electronic Properties of Materials, Faculty of Physics, University of Vienna, 1090 Wien, Austria.

Abstract

The thermal conductivity of epoxy nanocomposites filled with self-assembled hybrid nanoparticles composed of multilayered graphene nanoplatelets and anatase nanoparticles was described using an analytical model based on the effective medium approximation with a reasonable amount of input data. The proposed effective thickness approach allowed for the simplification of the thermal conductivity simulations in hybrid graphene@anatase TiO₂ nanosheets by including the phenomenological thermal boundary resistance. The sensitivity of the modeled thermal conductivity to the geometrical and material parameters of filling particles and the host polymer matrix, filler's mass concentration, self-assembling degree, and Kapitza thermal boundary resistances at emerging interfaces was numerically evaluated. A fair agreement of the calculated and measured room-temperature thermal conductivity was obtained.

Keywords: Kapitza thermal boundary resistance; anatase; epoxy; multilayer graphene; polymer nanocomposites; thermal conductivity.

Grants and funding

This research was supported by the Ministry of Education and Science of Ukraine, grant number 0122U001953. O.K. acknowledges the support from the Erwin Schrödinger Institute through the Special Research Fellow Programme.