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| - Simulation of 3D Mesoscale Structure Formation in ConcentratedAqueous Solution of the Triblock Polymer Surfactants (EthyleneOxide)13(Propylene Oxide)30(Ethylene Oxide)13 and (PropyleneOxide)19(Ethylene Oxide)33(Propylene Oxide)19. Application of DynamicMean-Field Density Functional Theory
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| - We simulate the microphase separation dynamics of aqueous solutions of the triblock polymersurfactants (ethylene oxide)13(propylene oxide)30(ethylene oxide)13 and (propylene oxide)19(ethylene oxide)33(propylene oxide)19 by a dynamic variant of mean-field density functional theory for Gaussian chains.This is the first 3D mesoscale model for the dynamic behavior of specific complex polymer solutions.Different mesoscale structures (micellar, hexagonal, bicontinuous, and lamellar and dispersed coexistingphases) are formed depending on composition. The numerical results are in good agreement withexperiment. The intermediate hexagonal and bicontinuous phases of (ethylene oxide)13(propylene oxide)30(ethylene oxide)13 solution retain a rich defect structure. Concentrated solution (60%) of (propylene oxide)19(ethylene oxide)33(propylene oxide)19 shows the onset of macrophase separation, with small water dropletsdispersed throughout the system. We confirm the experimental observation that the lamellar phaseformation does not depend on the block sequence. Quenched from homogeneous state, the kinetics ofeach system consists of a fast local aggregation stage and subsequent slow rearrangement by defectannihilation. We conclude that the simulation method is a valuable tool for description of 3D morphologyformation in a wide variety of complex polymer liquids.
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