Research on the miscibility, mechanical properties and printability of polylactic acid/poly (ε-caprolactone) blends: insights from molecular dynamics simulation and experiments

Wei, Qinghua; Sun, Daocen; Zhang, Kun; Wang, Yanmei; Guo, Ying; Wang, Yanen

doi:10.1007/s10853-021-05918-x

Cited by 11 publications

(9 citation statements)

References 40 publications

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“…[155][156][157][158][159][160] Wei et al also employed a molecular dynamics simulation combining experiment methods to evaluate the miscibility and mechanical properties of PLLA/PCL blends. 161 It was found that the stiffness of blends decreased with the increasing PCL content, while the toughness first increased and then decreased. Only the blend of PLLA/PCL (90/10 wt %) was miscible and possessed the best ductility and toughness.…”

Section: Blendingmentioning

confidence: 98%

Mechanical and gas permeability properties of poly(L‐lactic acid)–based films and their application in fresh produce preservation—Review

Yun,

Liu,

et al. 2024

Packag Technol Sci

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Plastics have remained the best choice for fruit and vegetable packaging due to their exceptional transparency, flexibility, optional good barrier and cost‐effectiveness. However, a large number of plastics end up in the environment after serving their intended purpose and persist there for centuries. Since worldwide attention to environmental issues has become an irreversible historical trend, cost‐effective renewable biodegradable packaging material is highly desirable for the packaging industry to satisfy both industrial demands as well as consumer expectations. Poly (L‐lactic acid) (PLLA), a renewable biodegradable polymer derived from biomass, has been widely studied as a very attractive polymer for food packaging applications. However, its brittle nature and medium CO2/O2 permeability are not friendly for its utilisation in the aspect of fresh agricultural products packaging. In such a context, great efforts have been devoted to improvements in the mechanical and permeability of PLLA to meet the requirements of food packaging. The main purpose of the review is to summarise the mechanical and permeability properties of composite films developed by the incorporation of toughness reinforcing agents into the PLLA matrix. The elongation at break of PLA can be increased up to 250 times by modification, and the CO2 permeability of PLA can be increased by 2–3 times by modification. We also elaborate on studies of the preservation effect of PLLA composite films on fresh fruits and vegetables.

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Section: Blendingmentioning

confidence: 98%

Mechanical and gas permeability properties of poly(L‐lactic acid)–based films and their application in fresh produce preservation—Review

Yun,

Liu,

et al. 2024

Packag Technol Sci

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“…14 Molecular simulation techniques offer a powerful toolset in the effort of PLA compatibilization with other biorelevant matrices by allowing the derivation of bottom-up structure−property relationships from nanoscopic insights. For instance, atomistic and mesoscopic molecular dynamics (MD) simulations have been employed in the prediction and rationalization of the miscibility and/or mechanical properties of PLA blends with poly(styrene) and poly(vinylphenol), 15 poly(styrene-co-vinylphenol), 16 poly(hydroxybutyrate), 17 poly(butylene succinate), 18 poly(ε-caprolactone), 19 and poly(ethylene glycol). 20 Naturally, MD simulations have also been instrumental in the characterization of PLA blends with polysaccharides.…”

Section: ■ Introductionmentioning

confidence: 99%

Molecular-Scale Exploration of Mechanical Properties and Interactions of Poly(lactic acid) with Cellulose and Chitin

Mileo,

Krauter,

Sanders

et al. 2023

ACS Omega

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Poly(lactic acid) (PLA), one of the pillars of the current overarching displacement trend switching from fossil-to natural-based polymers, is often used in association with polysaccharides to increase its mechanical properties. However, the use of PLA/polysaccharide composites is greatly hampered by their poor miscibility, whose underlying nature is still vastly unexplored. This work aims to shed light on the interactions of PLA and two representative polysaccharide molecules (cellulose and chitin) and reveal structure−property relationships from a fundamental perspective using atomistic molecular dynamics. Our computational strategy was able to reproduce key experimental mechanical properties of pure and/or composite materials, reveal a decrease in immiscibility in PLA/chitin compared to PLA/cellulose associations, assert PLA-oriented polysaccharide reorientations, and explore how less effective PLA-polysaccharide hydrogen bonds are related to the poor PLA/polysaccharide miscibility. The connection between the detailed chemical interactions and the composite behavior found in this work is beneficial to the discovery of new biodegradable and natural polymer composite mixtures that can provide needed performance characteristics.

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“…By this manufacturing process, PLA and its composites can be made into the components with complex topological structures on-demand, which greatly meets the needs of personalized customization of clinical implants. [7][8][9] However, for pure PLA, its relatively low mechanical strength, poor toughness, and poor cell affinity still limit its clinic application, especially as bone scaffold implants and fracture fixation that need to bear the complex loads. [10] To address this challenge, various methods have been conducted to improve the mechanical properties and cell affinity of PLA.…”

Section: Introductionmentioning

confidence: 99%

“…By this manufacturing process, PLA and its composites can be made into the components with complex topological structures on‐demand, which greatly meets the needs of personalized customization of clinical implants. [ 7–9 ]…”

Section: Introductionmentioning

confidence: 99%

Atomic Scale Investigation on the Structural and Mechanical Properties of Carbon Nanotubes Reinforced Polylactic acid Composites

Wei

Zhou

Sun

et al. 2022

Macro Materials & Eng

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Molecular characterization of nanocomposites is of great significance for the design, prediction, and understanding of the structure and properties of nanocomposites. Herein, a molecular dynamics simulation method is employed to investigate the structures, thermodynamical, and mechanical properties of carbon nanotubes (CNTs) reinforced polylactic acid (PLA) composites, as well as the effects and mechanisms of CNTs on the structure and mechanical properties of PLA matrices. The concentration profile result suggests that the type of CNTs has a significant influence on the distribution of PLA molecular chains, with relative concentration profiles around CNTs in the order of PLA/CNTs-COOH > PLA/CNTs-OH > PLA/CNTs-NH 2 > PLA/CNTs. Incorporating CNTs into the PLA matrix decreases the FFV and mobility of the polymer, where the trend is PLA > PLA/CNTs > PLA/CNTs-NH 2 > PLA/CNTs-OH > PLA/CNTs-COOH. Meanwhile, the tensile properties of the PLA matrix increase with the incorporation of CNTs, and the trend agrees with the results of fractional free volume (FFV) and relative concentration distribution. Finally, the analysis results of interaction illustrate that hydrogen bond interactions between PLA molecular chains and the functional groups on CNTs surface are involved in the adsorption of the polymers on the CNTs surface, thus affecting their interfacial interaction, structure, and properties.

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Research on the miscibility, mechanical properties and printability of polylactic acid/poly (ε-caprolactone) blends: insights from molecular dynamics simulation and experiments

Cited by 11 publications

References 40 publications

Mechanical and gas permeability properties of poly(L‐lactic acid)–based films and their application in fresh produce preservation—Review

Mechanical and gas permeability properties of poly(L‐lactic acid)–based films and their application in fresh produce preservation—Review

Molecular-Scale Exploration of Mechanical Properties and Interactions of Poly(lactic acid) with Cellulose and Chitin

Atomic Scale Investigation on the Structural and Mechanical Properties of Carbon Nanotubes Reinforced Polylactic acid Composites

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