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Effects of Phase Morphology on Mechanical Properties: Oriented/Unoriented PP Crystal Combination with Spherical/Microfibrillar PET Phase.

ABSTRACT: In situ microfibrillation and multiflow vibrate injection molding (MFVIM) technologies were combined to control the phase morphology of blended polypropylene (PP) and poly(ethylene terephthalate) (PET), wherein PP is the majority phase. Four kinds of phase structures were formed using different processing methods. As the PET content changes, the best choice of phase structure also changes. When the PP matrix is unoriented, oriented microfibrillar PET can increase the mechanical properties at an appropriate PET content. However, if the PP matrix is an oriented structure (shish-kebab), only the use of unoriented spherical PET can significantly improve the impact strength. Besides this, the compatibilizer polyolefin grafted maleic anhydride (POE-g-MA) can cover the PET in either spherical or microfibrillar shape to form a core⁻shell structure, which tends to improve both the yield and impact strength. We focused on the influence of all composing aspects-fibrillation of the dispersed PET, PP matrix crystalline morphology, and compatibilized interface-on the mechanical properties of PP/PET blends as well as potential synergies between these components. Overall, we provided a theoretical basis for the mechanical recycling of immiscible blends.

SUBMITTER: Mi D

PROVIDER: S-EPMC6419086 | biostudies-other | 2019 Feb

REPOSITORIES: biostudies-other

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Effects of Phase Morphology on Mechanical Properties: Oriented/Unoriented PP Crystal Combination with Spherical/Microfibrillar PET Phase.

Mi Dashan D Wang Yingxiong Y Kuzmanovic Maja M Delva Laurens L Jiang Yixin Y Cardon Ludwig L Zhang Jie J Ragaert Kim K

Polymers 20190202 2

In situ microfibrillation and multiflow vibrate injection molding (MFVIM) technologies were combined to control the phase morphology of blended polypropylene (PP) and poly(ethylene terephthalate) (PET), wherein PP is the majority phase. Four kinds of phase structures were formed using different processing methods. As the PET content changes, the best choice of phase structure also changes. When the PP matrix is unoriented, oriented microfibrillar PET can increase the mechanical properties at an ...[more]

PMID: 30960231

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Project description:The structure, thermodynamic and mechanical properties of becquerelite mineral, Ca(UO2)6O4(OH)6·8H2O, were studied by means of theoretical solid-state calculations based on density functional theory using plane waves and pseudopotentials. The positions of the hydrogen atoms in the unit cell of becquerelite mineral were optimized theoretically since it was not possible to determine them from X-ray diffraction data by structure refinement. The structural results, including the lattice parameters, bond lengths and X-ray powder pattern, were found to be in excellent agreement with their experimental counterparts. The fundamental thermodynamic properties of becquerelite mineral, including specific heat, entropy, enthalpy and Gibbs free energy, were then computed by performing phonon calculations at the computed optimized structure. Since the experimental values of these properties are unknown, their values were predicted. The values obtained for the isobaric specific heat and entropy of becquerelite at the temperature of 298.15 K were 148.4 and 172.3 J K-1 mol-1, respectively. The computed thermodynamic properties were combined with those of the corresponding elements in order to obtain the enthalpy and Gibbs free energy of formation as a function of temperature. The availability of these thermodynamic properties of formation allowed to determine the enthalpies and free energies and associated reaction constants of a series of reactions involving becquerelite and other uranyl containing materials. Futhermore, knowledge of these properties permitted the study of the thermodynamic stability of becquerelite with respect to a rich set of secondary phases of spent nuclear fuel, including dehydrated schoepite, schoepite, metaschoepite, studtite, metastudtite, rutherfordine and soddyite under different conditions of temperature. Becquerelite is shown to be highly stable in the presence of hydrogen peroxide. It is the second most stable phase under intermediate hydrogen peroxide concentrations (after schoepite), and the fourth most stable phase under high hydrogen peroxide concentrations (after studtite, schoepite and metaschoepite). Finally, the equation of state and elastic properties of this mineral, unknown to date, were determined. The crystal structure of becquerelite was found to be stable mechanically and dynamically. Becquerelite can be described as a brittle material exhibiting large anisotropy and large compressibility in the direction perpendicular to the sheets characterizing the structure of this layered uranyl containing material. The dependence of the elastic properties of becquerelite with respect to the strain orientation is shown to be analogous to that of schoepite mineral. The calculated bulk modulus is also very similar to that of schoepite, B ∼ 31 GPa.

Dataset Information

Effects of Phase Morphology on Mechanical Properties: Oriented/Unoriented PP Crystal Combination with Spherical/Microfibrillar PET Phase.

Publications

Effects of Phase Morphology on Mechanical Properties: Oriented/Unoriented PP Crystal Combination with Spherical/Microfibrillar PET Phase.

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