2023
DOI: 10.1007/s11595-023-2757-6
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Preparation and Properties of Light-colored Antistatic ATZO@TiO2/PAN Fiber

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Cited by 1 publication
(2 citation statements)
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“…To further elucidate the nature of the interaction between MWCNTs-OH and F3 molecules, we employed RDF calculations to describe their overall structure in the dispersion system. The RDF (as depicted in Figure 9D) plays a pivotal role in connecting the macroscopic thermodynamic properties of various substances with their intermolecular interactions (Xu et al, 2023). In molecular simulations, the RDF assesses the relationship between the local particle density within a periodic boundary box and the overall density.…”
Section: Simulation Of Mwcnts-oh Dispersion In the F3 Spinning Solutionmentioning
confidence: 99%
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“…To further elucidate the nature of the interaction between MWCNTs-OH and F3 molecules, we employed RDF calculations to describe their overall structure in the dispersion system. The RDF (as depicted in Figure 9D) plays a pivotal role in connecting the macroscopic thermodynamic properties of various substances with their intermolecular interactions (Xu et al, 2023). In molecular simulations, the RDF assesses the relationship between the local particle density within a periodic boundary box and the overall density.…”
Section: Simulation Of Mwcnts-oh Dispersion In the F3 Spinning Solutionmentioning
confidence: 99%
“…In this paper, we initially used molecular dynamics (MD) simulations to investigate the dispersion mechanism of hydroxylated MWCNTs (MWCNTs-OH) in the F3 spinning solution (Xu et al, 2023). MD simulations provide a means to investigate multiple factors influencing the mechanical attributes of materials, establishing connections between mechanical behavior, structural alterations, and molecular interactions and motion in nanocomposite systems (Jahangiri and Ozden-Yenigun, 2018).…”
Section: Introductionmentioning
confidence: 99%