Molecular Dynamics Study on the Thermal Conductivity of PVDF Polymer

GAO Yanwen, GONG Liang, ZHU Chuanyong

Journal of Engineering Thermophysics ›› 2024, Vol. 45 ›› Issue (11) : 3457-3464.

PDF(3378 KB)
PDF(3378 KB)
Journal of Engineering Thermophysics ›› 2024, Vol. 45 ›› Issue (11) : 3457-3464.

Molecular Dynamics Study on the Thermal Conductivity of PVDF Polymer

  • GAO Yanwen, GONG Liang, ZHU Chuanyong
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Abstract

Poly (vinylidene fluoride) (PVDF) is widely used in many fields, such as thermal interface materials and membrane distillation membranes; therefore, modeling its thermal conductivity is of great importance. In this study, equilibrium molecular dynamics simulations were used to calculate the thermal conductivity of PVDF at different degrees of polymerization and temperatures. The results revealed that as the temperature and degree of polymerization increase, the overall thermal conductivity of PVDF increases. Moreover, at certain temperatures, λC and λB were found to be linearly related to the reciprocal of the molecular gyration radius and macroscopic density, respectively. Additionally, when the molecular gyration radius of PVDF is large, λNB shows an approximately linear relationship with the gyration radius. Finally, correlations for predicting λC, λB, λNB, and the overall thermal conductivity of the material were proposed based on extensive numerical results. The findings of this study have significant implications for the development and design of PVDF materials.

Key words

PVDF / polymer / thermal conductivity / molecular dynamics

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GAO Yanwen, GONG Liang, ZHU Chuanyong. Molecular Dynamics Study on the Thermal Conductivity of PVDF Polymer[J]. Journal of Engineering Thermophysics, 2024, 45(11): 3457-3464
PDF(3378 KB)

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