Molecular Dynamics Simulation for the Effect of Fluorinated Graphene Oxide Layer Spacing on the Thermal and Mechanical Properties of Fluorinated Epoxy Resin

Abstract

Traditional epoxy resin (EP) materials have difficulty to meet the performance requirements in the increasingly complex operating environment of the electrical and electronic industry. Therefore, it is necessary to study the design and development of new epoxy composites. At present, fluorinated epoxy resin (F-EP) is widely used, but its thermal and mechanical properties cannot meet the demand. In this paper, fluorinated epoxy resin was modified by ordered filling of fluorinated graphene oxide (FGO). The effect of FGO interlayer spacing on the thermal and mechanical properties of the composite was studied by molecular dynamics (MD) simulation. It is found that FGO with ordered filling can significantly improve the thermal and mechanical properties of F-EP, and the modification effect is better than that of FGO with disordered filling. When the interlayer spacing of FGO is about 9 Å, the elastic modulus, glass transition temperature, thermal expansion coefficient, and thermal conductivity of FGO are improved with best effect. Furthermore, we calculated the micro parameters of different systems, and analyzed the influencing mechanism of ordered filling and FGO layer spacing on the properties of F-EP. It is considered that FGO can bind the F-EP molecules on both sides of the nanosheets, reducing the movement ability of the molecular segments of the materials, so as to achieve the enhancement effect. The results can provide new ideas for the development of high-performance epoxy nanocomposites.

Enhanced Tribological Properties of Vulcanized Natural Rubber Composites by Applications of Carbon Nanotube: A Molecular Dynamics Study

“…The elements in the stiffness matrix are expressed by the following equation: where U , V and ε represent the second derivative of the deformation, unit volume and strain. For isotropic materials like rubber, the stress-strain relations are completely described by two lame constants λ and μ, which can be expressed by the elements in the stiffness matrix as [ 51 ]: …”

“…The enhancing mechanism of rubber composites by CNT, GE and other common reinforcing fillers were explained via molecular dynamics (MD) simulations [42][43][44][45]. In particular, it can reveal the micro-reinforcement mechanism of carbon-based fillers and their functionalized products on the polymer matrix [46][47][48][49][50][51][52]. The interface interaction between CNT and polymer matrix was studied by molecular simulation [53][54][55].…”

Preparation of fluorinated epoxy‐phthalonitrile resins with excellent thermal stability and low dielectric constant

“…[8][9][10][11][12][13] Among them, fluorinated epoxy resin has electrical insulation and low shrinkage, but their high temperature resistance is not suitable for certain applications in special environments. [14][15][16][17][18][19][20] The dielectric properties of fluorinated epoxy resins have also been studied, suggesting that it can be used in related industries such as electronic devices. [21][22][23] To achieve miniaturization and portability, the size of electronic devices continues to shrink, introducing new obstacles such as signal crosstalk, power consumption and time delays.…”

“…Fluoropolymers include polytetrafluoroethylene, polytrifluoroethylene, polyvinylidene fluoride, polyvinyl fluoride, fluorinated epoxy resin, and so on 8–13 . Among them, fluorinated epoxy resin has electrical insulation and low shrinkage, but their high temperature resistance is not suitable for certain applications in special environments 14–20 . The dielectric properties of fluorinated epoxy resins have also been studied, suggesting that it can be used in related industries such as electronic devices 21–23 .…”

Expandindo as funcionalidades dos nanomateriais da família do grafeno

“…Este fenômeno forma uma blindagem negativa entre as nanofolhas que reduz a aglomeração deste nanomateriais. 88 Adicionalmente, destaca-se o aumento da hidrofobicidade, alta condutividade térmica, aumento da estabilidade térmica, energia na faixa de micro-ondas, entre outras. 88,89 A inserção de átomos de flúor na estrutura basal do GO altera fortemente suas propriedades eletrônicas exemplo da transferência rápida de heterogenia de elétrons rápida e abertura de band gap.…”