Effects of Y-nodes in DGEBA/TDE-85/MTHPA blends on their thermal and mechanical properties: MD simulation and experimental study

Yan, Bingyue; Yang, Wenyu; Zhong, Yuyao; Duan, Qijun; Xie, Jun

doi:10.1016/j.jmgm.2023.108532

Cited by 2 publications

(1 citation statement)

References 40 publications

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“…Compared to HHPAcured and MTHPA-cured systems, it is obvious that MHHPA-cured system have higher T g. 13 However, in the case of side groups (methyl groups) with steric hindrance effect in anhydride molecules, MTHPA-cured system is lower than MHHPA-cured system in T g , which is consistent with the result in. 13,19 Similarly, the T g of MTHPA-cured system measured in this paper conforms to the basic range from other studies, about 115 to 125 C. 15,20…”

Section: Glass Transition Temperaturesupporting

confidence: 89%

Effects of cross‐linked networks on dielectric properties of epoxy resins based on molecular dynamics

Wang,

Du,

Kong

et al. 2023

J of Applied Polymer Sci

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In this paper, three epoxy resin systems commonly used in power equipment are prepared to obtain cross‐linked networks with structural differences. The relationship between microscopic structures and dielectric properties of epoxy resins is investigated and discussed. Experimental results show that the polarization and conductance losses are inhibited in the anhydride‐cured systems with methyl groups. The molecular dynamics (MD) simulation shows that rigid anhydride structures (such as methyl groups) play a major role in reducing the local segment mobility and increasing the free volume at cross‐linking points. The decrease in local segment mobility has been confirmed by the decrease of mean square displacement (MSD) at the cross‐linking points, which is consistent with the change of measured polarization and conductance loss. In the glassy state, the dielectric properties of different anhydride‐cured systems can be reflected by local MSD at the cross‐linking points. At high temperatures near the glass transition temperature, both the free volume and network mobility increase significantly, which reflects the increased dielectric relaxation strength and conductance loss. The understanding of the structure–property relationships could provide a theoretical foundation for epoxy modification in a controlled manner for power equipment applications.

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Section: Glass Transition Temperaturesupporting

confidence: 89%

Effects of cross‐linked networks on dielectric properties of epoxy resins based on molecular dynamics

Wang,

Du,

Kong

et al. 2023

J of Applied Polymer Sci

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Surface modification of nano‐SiO₂ and its interaction mechanism in the interface of fiber metal laminates: Experimental and MD simulation analysis

Guo,

Zhan,

et al. 2024

Polymer Composites

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In order to optimize the reinforcing effect of nano‐SiO2 on the interface of fiber metal laminates (FMLs), the nano‐SiO2 was treated by ultraviolet irradiation and silane coupling agent for different surface properties. The interaction mechanisms of nano‐SiO2 were studied by mechanical test, chemical analysis, morphology observation, and molecular dynamics (MD) simulation. The results showed that the average failure strength of FMLs with untreated, hydrophilic and lipophilic nano‐SiO2 increases by 31.80%, 48.77%, and 51.38% compared to the FMLs without SiO2, respectively, and the interface fracture energy for those increases by 31.50%, 74.82%, and 21.47%, respectively. The disparity among the properties is primarily attributed to the surface polarity. The surface group of untreated and hydrophilic SiO2 is hydroxyl, which shows stronger attraction to resin but also easy to agglomerate, while the lipophilic is silane group that shows lower polarity, resulting in weaker attraction to resin but easier dispersion within the resin. Specifically, the surface polarity was verified by characterizing the particle center distance and the number of atoms surrounded by the particle in the two‐particle model. Moreover, the simulation revealed that nano‐SiO2 and resin molecules are mainly connected by chemical bond and hydrogen bond to transfer the load.Highlights The mechanism was explored by experiment and molecular dynamic simulation. The addition of lipophilic SiO2 increased the failure strength by 51.38%. The incorporation of hydrophilic SiO2 enhanced fracture energy by 74.82%. The polarity of the surface group of SiO2 affected the agglomeration/dispersion. The SiO2 and resin were mainly connected by chemical bond and hydrogen bond.

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Effects of Y-nodes in DGEBA/TDE-85/MTHPA blends on their thermal and mechanical properties: MD simulation and experimental study

Cited by 2 publications

References 40 publications

Effects of cross‐linked networks on dielectric properties of epoxy resins based on molecular dynamics

Effects of cross‐linked networks on dielectric properties of epoxy resins based on molecular dynamics

Surface modification of nano‐SiO₂ and its interaction mechanism in the interface of fiber metal laminates: Experimental and MD simulation analysis

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Effects of Y-nodes in DGEBA/TDE-85/MTHPA blends on their thermal and mechanical properties: MD simulation and experimental study

Cited by 2 publications

References 40 publications

Effects of cross‐linked networks on dielectric properties of epoxy resins based on molecular dynamics

Effects of cross‐linked networks on dielectric properties of epoxy resins based on molecular dynamics

Surface modification of nano‐SiO2 and its interaction mechanism in the interface of fiber metal laminates: Experimental and MD simulation analysis

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Product

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Surface modification of nano‐SiO₂ and its interaction mechanism in the interface of fiber metal laminates: Experimental and MD simulation analysis