LrgpV1, Main, Exploration, bibRecord, 000893

Molecular simulation on relationship between composition and microstructure of PP/PC blend

Identifieur interne : 000893 ( Main/Exploration ); précédent : 000892; suivant : 000894

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 ] ; 2012-11-05.

RBID : ISTEX:9FF69E3B46567117327D923F03D131154D3C6E8A

Descripteurs français

Wicri :
- topic : Polymère, Simulation.

English descriptors

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. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012

Url:

DOI: 10.1002/app.36977

Affiliations:

Le document en format XML

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<term>Better compatibility</term>
<term>Bicontinuous phase</term>
<term>Blend</term>
<term>Blend systems</term>
<term>Chem phys</term>
<term>Cocontinuous structure</term>
<term>Color figure</term>
<term>Compatibility</term>
<term>Compatibilized blends</term>
<term>Critical value</term>
<term>Different weight ratio</term>
<term>Equilibrium state</term>
<term>Force field</term>
<term>Free energy</term>
<term>Green beads</term>
<term>Immiscible</term>
<term>Impact strength</term>
<term>Integral structure factor</term>
<term>Interaction parameter</term>
<term>Interaction parameters</term>
<term>Isodensity surface</term>
<term>Krecelen solubility parameters</term>
<term>Larger value</term>
<term>Less immiscible systems</term>
<term>Matrix</term>
<term>Mechanical properties</term>
<term>Mechanical properties tests</term>
<term>Mesodyn</term>
<term>Mesodyn theories</term>
<term>Mesophase order parameter</term>
<term>Microstructure</term>
<term>Molar</term>
<term>Molar volume</term>
<term>Molecular dynamics</term>
<term>Molecular simulation</term>
<term>More immiscible systems</term>
<term>Morphology</term>
<term>Morphology evolution</term>
<term>Online issue</term>
<term>Order parameter</term>
<term>Order parameters</term>
<term>Phase separations</term>
<term>Phase size</term>
<term>Pink beads</term>
<term>Polym</term>
<term>Polymer</term>
<term>Polymer pair</term>
<term>Polymer science</term>
<term>Poor compatibility</term>
<term>Sebs</term>
<term>Separation process</term>
<term>Simulation</term>
<term>Simulation details</term>
<term>Simulation steps</term>
<term>Slower separation process</term>
<term>Solubility</term>
<term>Solubility parameters</term>
<term>Spherical shape</term>
<term>Stable stage</term>
<term>Steps simulation</term>
<term>Stronger immiscibility</term>
<term>Tensile strength</term>
<term>Time evolution</term>
<term>Time step</term>
<term>Transition point</term>
<term>Weight fraction</term>
<term>Wiley periodicals</term>
<term>Zhang</term>
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<keywords scheme="Teeft" xml:lang="en"><term>Appl polym</term>
<term>Better compatibility</term>
<term>Bicontinuous phase</term>
<term>Blend</term>
<term>Blend systems</term>
<term>Chem phys</term>
<term>Cocontinuous structure</term>
<term>Color figure</term>
<term>Compatibility</term>
<term>Compatibilized blends</term>
<term>Critical value</term>
<term>Different weight ratio</term>
<term>Equilibrium state</term>
<term>Force field</term>
<term>Free energy</term>
<term>Green beads</term>
<term>Immiscible</term>
<term>Impact strength</term>
<term>Integral structure factor</term>
<term>Interaction parameter</term>
<term>Interaction parameters</term>
<term>Isodensity surface</term>
<term>Krecelen solubility parameters</term>
<term>Larger value</term>
<term>Less immiscible systems</term>
<term>Matrix</term>
<term>Mechanical properties</term>
<term>Mechanical properties tests</term>
<term>Mesodyn</term>
<term>Mesodyn theories</term>
<term>Mesophase order parameter</term>
<term>Microstructure</term>
<term>Molar</term>
<term>Molar volume</term>
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<term>Molecular simulation</term>
<term>More immiscible systems</term>
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<term>Morphology evolution</term>
<term>Online issue</term>
<term>Order parameter</term>
<term>Order parameters</term>
<term>Phase separations</term>
<term>Phase size</term>
<term>Pink beads</term>
<term>Polym</term>
<term>Polymer</term>
<term>Polymer pair</term>
<term>Polymer science</term>
<term>Poor compatibility</term>
<term>Sebs</term>
<term>Separation process</term>
<term>Simulation</term>
<term>Simulation details</term>
<term>Simulation steps</term>
<term>Slower separation process</term>
<term>Solubility</term>
<term>Solubility parameters</term>
<term>Spherical shape</term>
<term>Stable stage</term>
<term>Steps simulation</term>
<term>Stronger immiscibility</term>
<term>Tensile strength</term>
<term>Time evolution</term>
<term>Time step</term>
<term>Transition point</term>
<term>Weight fraction</term>
<term>Wiley periodicals</term>
<term>Zhang</term>
</keywords>
<keywords scheme="Wicri" type="topic" xml:lang="fr"><term>Polymère</term>
<term>Simulation</term>
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<term>IMPACT</term>
<term>MALEIC-ANHYDRIDE</term>
<term>MECHANICAL-PROPERTIES</term>
<term>MORPHOLOGY</term>
<term>TERNARY BLENDS</term>
<term>blending</term>
<term>compatibility</term>
<term>polycarbonate</term>
<term>polypropylene</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. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012</div>
</front>
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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

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Descripteurs français

English descriptors

Abstract

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Le document en format XML

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