LrgpV1, Main, Exploration, bibRecord, 000937

Molecular Simulation on Relationship Between Composition and Microstructure of PP/PC Blend

Identifieur interne : 000937 ( Main/Exploration ); précédent : 000936; suivant : 000938

Molecular Simulation on Relationship Between Composition and Microstructure of PP/PC Blend

Auteurs : SHANSHAN DAI [République populaire de Chine] ; LIN YE [République populaire de Chine] ; Guo-Hua Hu [France]

Source :

Journal of applied polymer science [ 0021-8995 ] ; 2012.

RBID : Pascal:13-0136017

Descripteurs français

Pascal (Inist)
- Mélange hétérogène, Morphologie, Propène polymère, Carbonate polymère, Paramètre interaction, Facteur structure, Séparation phase, Relation composition structure, Propriété mécanique, Résistance choc, Résistance traction, Compatibilisant, SEBS, Méthode dynamique moléculaire, Simulation numérique, Etude théorique, Oléfine polymère, Propriété thermodynamique, Caoutchouc thermoplastique, Copolymère triséquencé, Mélange polymère, Paramètre Flory Huggins.

English descriptors

KwdEn :
- Compatibilizer, Heterogeneous mixture, Impact strength, Interaction parameter, Mechanical properties, Molecular dynamics method, Morphology, Numerical simulation, Olefin polymer, Phase separation, Polycarbonate, Polymer blends, Propylene polymer, SEBS, Structure composition relationship, Structure factor, Tensile strength, Theoretical study, Thermodynamic properties, Thermoplastic rubber, Triblock copolymer.

Abstract

Simulations based on molecular dynamics and mesodyn theories were used to investigate the compatibility, morphology evolution of polypropylene/polycarbonate (PP/PC) blends, and the relationship between the composition and microstructure. Results of Flory-Huggins interaction parameters, integral structure factor, X-ray intensity, free-energy density, and order parameters all indicated that phase separations occurred in all PP/PC blend systems, and poor compatibility was exhibited for this polymer pair. The systems of PP/PC = 54/ 46, PP/PC = 31/69, and PP/PC = 18/82 showed stronger immiscibility and the faster separation process, while the systems of PP/PC = 82/18 and PP/PC = 5/95 showed less immiscibility and a slower separation process. Compared with the results of mechanical properties tests, the appearance of a cocontinuous structure obtained from simulation corresponds to the transition point of impact strength and tensile strength. After transition, the mechanical properties of the blends depended on the properties of the PC matrix, and the impact strength and tensile strength were both clearly enhanced. As the simulation steps increased, the morphology of PP/PC = 54/46 blend developed into a double-lamellar structure by coarsening of PC phase from initial homogeneous configuration. In addition, the compatibilizing effect of SEBS was also investigated at the microscale, and varying the content of PS block in SEBS has little effect on the morphology of blend.

Affiliations:

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Le document en format XML

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<term>Facteur structure</term>
<term>Séparation phase</term>
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<front><div type="abstract" xml:lang="en">Simulations based on molecular dynamics and mesodyn theories were used to investigate the compatibility, morphology evolution of polypropylene/polycarbonate (PP/PC) blends, and the relationship between the composition and microstructure. Results of Flory-Huggins interaction parameters, integral structure factor, X-ray intensity, free-energy density, and order parameters all indicated that phase separations occurred in all PP/PC blend systems, and poor compatibility was exhibited for this polymer pair. The systems of PP/PC = 54/ 46, PP/PC = 31/69, and PP/PC = 18/82 showed stronger immiscibility and the faster separation process, while the systems of PP/PC = 82/18 and PP/PC = 5/95 showed less immiscibility and a slower separation process. Compared with the results of mechanical properties tests, the appearance of a cocontinuous structure obtained from simulation corresponds to the transition point of impact strength and tensile strength. After transition, the mechanical properties of the blends depended on the properties of the PC matrix, and the impact strength and tensile strength were both clearly enhanced. As the simulation steps increased, the morphology of PP/PC = 54/46 blend developed into a double-lamellar structure by coarsening of PC phase from initial homogeneous configuration. In addition, the compatibilizing effect of SEBS was also investigated at the microscale, and varying the content of PS block in SEBS has little effect on the morphology of blend.</div>
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Molecular Simulation on Relationship Between Composition and Microstructure of PP/PC Blend

Molecular Simulation on Relationship Between Composition and Microstructure of PP/PC Blend

Source :

Descripteurs français

English descriptors

Abstract

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