Molecular simulation on relationship between composition and microstructure of PP/PC blend
Identifieur interne : 000682 ( Hal/Checkpoint ); précédent : 000681; suivant : 000683Molecular 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.
English descriptors
- mix :
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 FloryHuggins 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.
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DOI: 10.1002/app.36977
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Results of FloryHuggins 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></front></TEI><hal api="V3"><titleStmt><title xml:lang="en">Molecular simulation on relationship between composition and microstructure of PP/PC blend</title><author role="aut"><persName><forename type="first">Shanshan</forename><surname>Dai</surname></persName><email></email><idno type="halauthor">807572</idno><affiliation ref="#struct-212116"></affiliation></author><author role="crp"><persName><forename type="first">Lin</forename><surname>Ye</surname></persName><email>yelinwh@126.com</email><idno type="halauthor">807573</idno><affiliation ref="#struct-212117"></affiliation></author><author role="aut"><persName><forename type="first">Guo-Hua</forename><surname>Hu</surname></persName><email>guo-hua.hu@univ-lorraine.fr</email><idno type="halauthor">805871</idno><affiliation ref="#struct-56663"></affiliation><affiliation ref="#struct-211875"></affiliation></author><editor role="depositor"><persName><forename>Gabriel</forename><surname>Wild</surname></persName><email>gabriel.wild@univ-lorraine.fr</email></editor><funder>National Basic Research Program of China 2005CB623800</funder></titleStmt><editionStmt><edition n="v1" type="current"><date type="whenSubmitted">2013-01-19 21:45:08</date><date type="whenWritten">2012</date><date type="whenModified">2016-05-10 16:53:05</date><date type="whenReleased">2013-01-19 21:45:08</date><date type="whenProduced">2012-11-05</date></edition><respStmt><resp>contributor</resp><name key="179637"><persName><forename>Gabriel</forename><surname>Wild</surname></persName><email>gabriel.wild@univ-lorraine.fr</email></name></respStmt></editionStmt><publicationStmt><distributor>CCSD</distributor><idno type="halId">hal-00778385</idno><idno type="halUri">https://hal.archives-ouvertes.fr/hal-00778385</idno><idno type="halBibtex">dai:hal-00778385</idno><idno type="halRefHtml">Journal of Applied Polymer Science, Wiley, 2012, 126 (3), pp.1165-1173. <10.1002/app.36977></idno><idno type="halRef">Journal of Applied Polymer Science, Wiley, 2012, 126 (3), pp.1165-1173. <10.1002/app.36977></idno></publicationStmt><seriesStmt><idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno><idno type="stamp" n="UNIV-LORRAINE">Université de Lorraine</idno><idno type="stamp" n="LRGP-UL">LRGP</idno></seriesStmt><notesStmt><note type="audience" n="2">International</note><note type="popular" n="0">No</note><note type="peer" n="1">Yes</note></notesStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Molecular simulation on relationship between composition and microstructure of PP/PC blend</title><author role="aut"><persName><forename type="first">Shanshan</forename><surname>Dai</surname></persName><idno type="halAuthorId">807572</idno><affiliation ref="#struct-212116"></affiliation></author><author role="crp"><persName><forename type="first">Lin</forename><surname>Ye</surname></persName><email>yelinwh@126.com</email><idno type="halAuthorId">807573</idno><affiliation ref="#struct-212117"></affiliation></author><author role="aut"><persName><forename type="first">Guo-Hua</forename><surname>Hu</surname></persName><email>guo-hua.hu@univ-lorraine.fr</email><idno type="halAuthorId">805871</idno><affiliation ref="#struct-56663"></affiliation><affiliation ref="#struct-211875"></affiliation></author></analytic><monogr><idno type="halJournalId" status="VALID">15083</idno><idno type="issn">0021-8995</idno><idno type="eissn">1097-4628</idno><title level="j">Journal of Applied Polymer Science</title><imprint><publisher>Wiley</publisher><biblScope unit="volume">126</biblScope><biblScope unit="issue">3</biblScope><biblScope unit="pp">1165-1173</biblScope><date type="datePub">2012-11-05</date></imprint></monogr><idno type="doi">10.1002/app.36977</idno></biblStruct></sourceDesc><profileDesc><langUsage><language ident="en">English</language></langUsage><textClass><keywords scheme="author"><term xml:lang="en">polypropylene</term><term xml:lang="en">polycarbonate</term><term xml:lang="en">blending</term><term xml:lang="en">compatibility</term><term xml:lang="en">simulation</term><term xml:lang="en">MECHANICAL-PROPERTIES</term><term xml:lang="en">MALEIC-ANHYDRIDE</term><term xml:lang="en">TERNARY BLENDS</term><term xml:lang="en">FORCE-FIELD</term><term xml:lang="en">MORPHOLOGY</term><term xml:lang="en">COPOLYMER</term><term xml:lang="en">IMPACT</term></keywords><classCode scheme="halDomain" n="spi.gproc">Engineering Sciences [physics]/Chemical and Process Engineering</classCode><classCode scheme="halDomain" n="chim.poly">Chemical Sciences/Polymers</classCode><classCode scheme="halTypology" n="ART">Journal articles</classCode></textClass><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 FloryHuggins 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.</abstract></profileDesc></hal></record>Pour manipuler ce document sous Unix (Dilib)
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