Understanding Water Diffusion Behaviors in Epoxy Resin through Molecular Simulations and Experiments

Liu, Yuhao; Lin, Ying; Zhang, Yunxiao; Cao, Bin; Wu, Kangning; Wang, Liming

doi:10.1021/acs.langmuir.3c03766

Cited by 10 publications

(2 citation statements)

References 56 publications

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“…The schematic images of free volume and the free volume fraction (φ FFV ) were calculated and plotted in Figure . The free volume fraction (φ FFV ) is calculated as follows: φ FFV = V f V 0 + V f × 100 % where V 0 denotes the occupied volume and V f denotes the free volume. From Figure one can see that the free volume fraction of the CF-PDA-D230-epoxy system is smaller than that in the CF-epoxy system.…”

Section: Resultsmentioning

confidence: 65%

Understanding the Interface Enhancement Mechanisms of CFRP with the Polydopamine–Polyetheramine Interphase at the Molecular Level

Ding,

Gao,

Ding

et al. 2024

Langmuir

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In this work, polydopamine (PDA) and polyetheramine D230 were selected to construct the PDA-D230 interphase between the carbon fiber (CF) and epoxy matrix. Density functional theory (DFT) and molecular dynamics (MD) simulations were performed to explore the interface enhancement mechanisms of a carbon fiber reinforced polymer (CFRP) with the PDA-D230 interphase from the molecular level. The adsorption characteristics of a PDA molecule on the CF surface were investigated using the DFT method. The results show that stronger π−π stacking interactions are formed due to the structure and orientation preference of the PDA molecule. The interfacial structures and properties of CFRP with the PDA-D230 interphase are derived from MD simulations. The PDA-D230 interphase on the CF surface induces stronger interfacial interaction energy, leading to the better load transfer between the CF and epoxy matrix. The existence of the PDA-D230 interphase on the CF surface can decrease the mean-square displacement (MSD) value and the free volume fraction of CFRP, which restricts the movement of epoxy atoms and inhibits the translational and rotational motion of epoxy chains. Compared with the epoxy using pristine CFs as reinforcement, the interfacial shear stress (ISS) of CFRP with the PDA-D230 interphase is improved by 13.1%. Our results provide valuable insights into the interface characteristics of CFRP with the PDA-D230 interphase, which are of great significance for exploring the strengthening mechanisms for CFRPs with the PDA-D230 interphase.

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Section: Resultsmentioning

confidence: 65%

Understanding the Interface Enhancement Mechanisms of CFRP with the Polydopamine–Polyetheramine Interphase at the Molecular Level

Ding,

Gao,

Ding

et al. 2024

Langmuir

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“…This reduces the mechanical strength, stiffness, and adhesion of epoxy resins, thus diminishing their performance and service life. Epoxy resins may be treated with appropriate surface treatments or coatings, hydrophobic additives, surface-modified nanoparticles like halloysite, optimized curing processes, and other techniques to minimize water absorption [ 47 , 48 , 49 ].…”

Section: Resultsmentioning

confidence: 99%

Development of Halloysite Nanotube-Infused Thermoset Soybean Bio-Resin for Advanced Medical Packaging

Saedi,

Sobhan,

Hoff

et al. 2024

Polymers

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The development of eco-friendly, mechanically stable, and biocompatible materials for medical packaging has gained significant attention in recent years. Halloysite nanotubes (HNTs) have emerged as a promising nanomaterial due to their unique tubular structure, high aspect ratio, and biocompatibility. We aim to develop a novel soybean oil-based thermoset bio-resin incorporating HNTs and to characterize its physical and functional properties for medical packaging. Soybean oil was epoxidized using an eco-friendly method and used as a precursor for preparing the thermoset resin (ESOR). Different amounts of HNTs (0.25, 0.50, and 1.0 wt.%) were used to prepare the ESOR/HNTs blends. Various characteristics such as transparency, tensile strength, thermal resistance, and water absorption were investigated. While incorporating HNTs improved the tensile strength and thermal properties of the ESOR, it noticeably reduced its transparency at the 1.0 wt.% level. Therefore, HNTs were modified using sodium hydroxide and (3-Aminopropyl) triethoxysilane (APTES) and ESOR/HNTs blends were made using 1.0 wt.% of modified HNTs. It was shown that modifying HNTs using NaOH improved the transparency and mechanical properties of prepared blends compared to those with the same amount of unmodified HNTs. However, modifying using (3-Aminopropyl) triethoxysilane (APTES) decreased the transparency but improved the water absorption of prepared resins. This study provides valuable insights into the design of HNT-based ESOR blends as a sustainable material for medical packaging, contributing to the advancement of eco-friendly packaging solutions in the healthcare industry.

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Silicone encapsulants with high thermal stability for SiC power devices under high temperatures

Lin,

Dong,

Dang

et al. 2024

J Mater Sci: Mater Electron

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Understanding Water Diffusion Behaviors in Epoxy Resin through Molecular Simulations and Experiments

Cited by 10 publications

References 56 publications

Understanding the Interface Enhancement Mechanisms of CFRP with the Polydopamine–Polyetheramine Interphase at the Molecular Level

Understanding the Interface Enhancement Mechanisms of CFRP with the Polydopamine–Polyetheramine Interphase at the Molecular Level

Development of Halloysite Nanotube-Infused Thermoset Soybean Bio-Resin for Advanced Medical Packaging

Silicone encapsulants with high thermal stability for SiC power devices under high temperatures

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