Structure and Dynamics of Ionic Block Copolymer Melts: Computational Study

作者: Dipak Aryal , Anupriya Agrawal , Dvora Perahia , Gary S. Grest

DOI: 10.1021/ACS.MACROMOL.7B00724

关键词: Molecular dynamicsChemical physicsPolymerMaterials sciencePolystyreneIonic bondingCluster (physics)Topology (chemistry)Polymer chemistryCopolymerBlock (programming)Inorganic chemistryOrganic chemistryMaterials ChemistryPolymers and Plastics

摘要: Structure and dynamics of melts copolymers with an ABCBA topology, where C is ionizable block, have been studied by fully atomistic molecular (MD) simulations. Introducing block for functionality adds a significant element to the coupled set interactions that determine structure macromolecule. The polymer consists randomly sulfonated polystyrene tethered flexible poly(ethylene-r-propylene) bridge B end-capped poly(tert-butylstyrene) A. chemical topology these polymers constitute model incorporation ionic blocks within framework provides tactility mechanical stability. Here we resolve structured on nanoscale constrained clusters. We find form intertwined networks A independent degree sulfonation no long-range order. cluster cohesiveness morphology affect both ma...

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