A simulation study on the effect of nanoparticle size on the glass transition temperature of polymer nanocomposites

Khan, Raja Azhar Ashraaf; Qi, Hang‐Kai; Huang, Jianhua; Luo, Meng‐Bo

doi:10.1039/d1sm00843a

Cited by 15 publications

(9 citation statements)

References 52 publications

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“…In particular, Khan et al reported that at a high volume fraction of NPs, the T g shows an increasing trend, with an increase in the amount of NPs due to the higher number of contacted polymer chains with NPs and the diffusion of NPs. They concluded that the T g can be controlled by the agglomeration of NPs and the interaction strength between the NPs and polymer chains [ 51 , 52 ]. In our case, this concentration is not reached in the experimental space scanned and the T g is only affected by the addition of OLA.…”

Section: Resultsmentioning

confidence: 99%

Compositional Influence on the Morphology and Thermal Properties of Woven Non-Woven Mats of PLA/OLA/MgO Electrospun Fibers

2022

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In the present work, a statistical study of the morphology and thermal behavior of poly(lactic acid) (PLA)/oligomer(lactic acid) (OLA)/magnesium oxide nanoparticles (MgO), electrospun fibers (efibers) has been carried out. The addition of both, OLA and MgO, is expected to modify the final properties of the electrospun PLA-based nanocomposites for their potential use in biomedical applications. Looking for the compositional optimization of these materials, a Box–Wilson design of experiment was used, taking as dependent variables the average fiber diameter as the representative of the fiber morphologies, as well as the glass transition temperature (Tg) and the degree of crystallinity (Xc) as their thermal response. The results show <r2> values of 73.76% (diameter), 88.59% (Tg) and 75.61% (Xc) for each polynomial fit, indicating a good correlation between both OLA and MgO, along with the morphological as well as the thermal behavior of the PLA-based efibers in the experimental space scanned.

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Section: Resultsmentioning

confidence: 99%

Compositional Influence on the Morphology and Thermal Properties of Woven Non-Woven Mats of PLA/OLA/MgO Electrospun Fibers

2022

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“…Polymer nanocomposites possess attractive material properties that are unattainable with either base component. However, a complete description of these material properties is challenging because they depend on myriad parameters, including interaction strength, − processing conditions, ,− nanofiller size and shape, − and many others. In particular, the physical origin of exceptional performance enhancement offered by ultrasmall (∼1–2 nm diameter) polyhedral silsesquioxane (POSS) nanofillers remains relatively unexplored compared to larger (∼10 nm) fillers.…”

Section: Introductionmentioning

confidence: 99%

Intermediate Polymer Relaxation Explains the Anomalous Rheology of Nanocomposites with Ultrasmall Attractive POSS Nanoparticles

Young,

Katsumata

2023

ACS Polym. Au

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The rheological properties of entangled polymers loaded with very small, strongly attractive polyhedral oligomeric silsesquioxane (POSS) fillers differ from that of nanocomposites with larger fillers by (1) the shorter breadth of the entanglement plateau and (2) the relatively unchanged terminal viscosity with increasing POSS loading. Although such anomalous rheological properties can rewrite the property–processing map of materials (e.g., high glass transition temperature and low viscosity), their mechanism remains unclear. In this study, we report that polymer relaxations on intermediate time scales between α and entire-chain relaxation, so-called “slower processes”, are responsible for this unusual rheological behavior of poly(2-vinylpyridine)/octa(aminophenyl)silsesquioxane (P2VP/OAPS) nanocomposites. To uncover the effects of entanglements on the nanocomposite dynamics, rheometry is used for variable matrix molecular weights. Results show a systematic change in the rheological response, which is independent of the molecular weight, and in turn, the presence of entanglements. This supports a physical interpretation that a slower process dominates the rheological response of the material at intermediate frequencies on length scales larger than the segment length or the OAPS diameter, while the underlying physical time scales associated with the entanglement relaxation remain unchanged. Such insights are anticipated to assist the future rational design of other highly attractive and ultrasmall nanoparticles that enable a fine-tuned rheological response of nanocomposites across multiple length scales.

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“…[7][8][9][10] The properties of polymers can be tuned by changing the size and volume fraction of NPs as well as the interaction between NPs and polymers. [11][12][13][14][15] It was pointed out that the attractive interactions between NPs and polymers have significant effects on the conformational and dynamical properties of polymer chains. 11,[13][14][15][16] For example, the diffusion coefficient (D) of poly(methyl methacrylate) (PMMA) decreased upon increasing the load of clay, while it roughly remained the same in a non-attractive polystyrene (PS)/ clay composite.…”

Section: Introductionmentioning

confidence: 99%

Simulation study on the effect of polydisperse nanoparticles on polymer diffusion in crowded environments

Hua,

Luo

2023

Phys. Chem. Chem. Phys.

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A simulation study on the effect of nanoparticle size on the glass transition temperature of polymer nanocomposites

Abstract: The effect of the size of nanoparticles, σNP, on the glass transition temperature, Tg, of polymer nanocomposites is studied by using molecular dynamics simulations. The variation of Tg with σNP...

Cited by 15 publications

References 52 publications

Compositional Influence on the Morphology and Thermal Properties of Woven Non-Woven Mats of PLA/OLA/MgO Electrospun Fibers

Compositional Influence on the Morphology and Thermal Properties of Woven Non-Woven Mats of PLA/OLA/MgO Electrospun Fibers

Intermediate Polymer Relaxation Explains the Anomalous Rheology of Nanocomposites with Ultrasmall Attractive POSS Nanoparticles

Simulation study on the effect of polydisperse nanoparticles on polymer diffusion in crowded environments

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