Polarity, thermal stability, and hydrophilicity of three-layer crosslinked PPTA/cellulose composite insulation system: Molecular dynamics simulations

Yang, Mujie; Yang, Lijun; Yin, Fei; Gao, Yuanyuan; Liao, Ruijin

doi:10.1016/j.mtcomm.2022.103533

Cited by 12 publications

(6 citation statements)

References 49 publications

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“…During molecular dynamics simulation analysis, only the analysis results of parameters in the stable structure state are reliable, and the energy changes of the model during the process of dynamic relaxation can be used as the basis to judge the stability of the model. 50 Figure 8 shows the model's energy− time changes during BC−CA and P−CA dynamic simulations at 120 ps NVT. The potential, kinetic, and nonbond energies reach equilibrium states, indicating that the model attained equilibrium.…”

Section: Interaction Between Polysaccharides and Camentioning

confidence: 99%

Study on the Digestive Behavior of Chlorogenic Acid in Biomimetic Dietary Fiber and the Antioxidative Synergistic Effect of Polysaccharides and Chlorogenic Acid

Zhang,

et al. 2024

J. Agric. Food Chem.

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Chlorogenic acid (CA) is often combined with dietary fiber polysaccharides in plant foods, which may affect its digestive behavior and antioxidant activity. This study constructed a biomimetic dietary fiber (BDF) model by combining bacterial cellulose (BC) and pectin with CA and investigated the digestive behavior of CA in BDF. Additionally, the study examined the interaction and synergistic effects of polysaccharides and CA against oxidation. Results showed that BDF and natural dietary fiber had similar microstructures, group properties, and crystallization properties, and polysaccharides in BDF were bound to CA. After simulated gastrointestinal digestion, 41.03% of the CA existed in a conjugated form, and it was possibly influenced by the interaction between polysaccharides and CA. And the release of CA during simulated digestion potentially involved four mechanisms, including the disintegration of polysaccharide−CA complex, the dissolution of pectin, escape from BC−pectin (BCP) network structure, and diffusion release. And polysaccharides and CA may be combined through noncovalent interactions such as hydrogen bonding, van der Waals force, or electrostatic interaction force. Meanwhile, polysaccharides−CA combination had a synergistic antioxidant effect by the results of free-radical scavenging experiments, it was probably related to the interaction between polysaccharides and CA. The completion of this work has a positive significance for the development of dietary intervention strategies for oxidative damage.

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Section: Interaction Between Polysaccharides and Camentioning

confidence: 99%

Study on the Digestive Behavior of Chlorogenic Acid in Biomimetic Dietary Fiber and the Antioxidative Synergistic Effect of Polysaccharides and Chlorogenic Acid

Zhang,

et al. 2024

J. Agric. Food Chem.

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“…Mo Y [28]et al constructed a three-layer cross-linked polyterephthalamide (PPTA)/cellulose composite structure and explored its polarity, thermal stability, and hydrophilicity through molecular dynamics simulation. The results show that the introduction of PPTA and the construction of a crosslinked network between molecules can reduce the polar group density and molecular polarizability of the cellulose system; the dielectric constant of the three-layer cross-linked system is 34.1% lower than that of the pure cellulose system.…”

Section: Thermomechanical Properties Of Aramid Fibersmentioning

confidence: 99%

Properties of Aramid Fibers And Their Composites Based on Atomic/Molecular Scale Simulation Technology: A Review

Shu-hu

Guo

et al. 2023

J. Phys.: Conf. Ser.

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Atomic or molecular simulation technology is gradually used in the performance simulation of organic ballistic fibers and their composites, to reveal their various performance mechanisms and evolutionary mechanisms from the molecular point of view. Atomic or molecular simulation technology in the mechanical properties, thermal properties, aging properties, properties of aramid fiber composite fibers, and interface properties of aramid fiber-reinforced composites are summarized in this paper.

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“…The relative dielectric constant can re ect the response process of the dielectric to external resonance, It is an important parameter we use to study the properties of cellulose insulating paper and re ect the dielectric properties of materials (Mo et al 2022). The test results of the relative dielectric constant are shown in Fig.…”

Section: Relative Dielectric Constantmentioning

confidence: 99%

Polysilsesquioxane-modified Cellulose Insulating Paper with Excellent Mechanical Properties, Electrical Properties and Aging Resistance

Yang

Wang

et al. 2022

Preprint

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Nano-modified insulating paper is regarded as a promising material in power systems due to its outstanding performance. In this paper, three kinds of polysilsesquioxane nanoparticles with different substituents (octaaminophenyl POSS, octaphenyl POSS, and octamethyl POSS) were used to prepare modified cellulose insulating paper. It was found that the doping of polysilsesquioxane nanoparticles could effectively improve the tensile strength of insulating paper and reduce its relative dielectric constant. Specifically, doping of 10 wt% octaaminophenyl POSS (OAPS) showed the best modification effect. On this basis, accelerated thermal aging test was carried out on the 10 wt% OAPS modified insulating paper. Compared with the unmodified sample, the tensile strength of the modified sample increased by 16.87% and the relative dielectric constant decreased by 24.63% after aging at 130 ℃ for 31 days. Molecular simulation technology was used to study the micro mechanism and results show that OAPS can significantly improve the tensile strength, dielectric properties and thermal stability of cellulose insulating paper by forming hydrogen bonds with cellulose chains, reducing the system polarizability and the movement strength of cellulose chains.

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Polarity, thermal stability, and hydrophilicity of three-layer crosslinked PPTA/cellulose composite insulation system: Molecular dynamics simulations

Cited by 12 publications

References 49 publications

Study on the Digestive Behavior of Chlorogenic Acid in Biomimetic Dietary Fiber and the Antioxidative Synergistic Effect of Polysaccharides and Chlorogenic Acid

Study on the Digestive Behavior of Chlorogenic Acid in Biomimetic Dietary Fiber and the Antioxidative Synergistic Effect of Polysaccharides and Chlorogenic Acid

Properties of Aramid Fibers And Their Composites Based on Atomic/Molecular Scale Simulation Technology: A Review

Polysilsesquioxane-modified Cellulose Insulating Paper with Excellent Mechanical Properties, Electrical Properties and Aging Resistance

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