The Effects of Copolymer Compatibilizers on the Phase Structure Evolution in Polymer Blends—A Review

This paper summarizes the results of studies describing the effect of block and graft copolymers on the phase structure formation and evolution in immiscible polymer blends. The main phenomenological rules for prediction of the copolymer compatibilization efficiency are briefly described and compared with selected experimental data. The results of the theories of equilibrium distribution of a copolymer between the blend interface and the bulk phases and its effect on the blend interfacial tension are summarized. The theories of the compatibilizer effect on the droplet breakup in flow are analyzed. The mechanisms of the copolymer effect on the coalescence of droplets in flow are compared and their effect on the droplet size is shown. The problems of reliable description of the effect of a copolymer on the coalescence in quiescent state are presented. Obstacles to derivation of a realistic theory of the copolymer effect on the competition between the droplet breakup and coalescence are discussed. Selected experimental data are compared with the theoretical results.

Multiscale Modeling and Simulation of Polymer Blends in Injection Molding: A Review

Modeling and simulation of the morphology evolution of immiscible polymer blends during injection molding is crucial for predicting and tailoring the products’ performance. This paper reviews the state-of-the-art progress in the multiscale modeling and simulation of injection molding of polymer blends. Technological development of the injection molding simulation on a macroscale was surveyed in detail. The aspects of various models for morphology evolution on a mesoscale during injection molding were discussed. The current scale-bridging strategies between macroscopic mold-filling flow and mesoscopic morphology evolution, as well as the pros and cons of the solutions, were analyzed and compared. Finally, a comprehensive summary of the above models is presented, along with the outlook for future research in this field.

A Molecular Dynamics Study on the Miscibility and Morphology of Polyester Blends used in Coil Coatings

Computational simulations can be used to save on both time and costs, complementing experimental work and providing further guidance. Immiscible polymer blends induce phase segregation, and in some cases can produce useful multicoat systems. This works uses a range of Molecular Dynamics Simulations methods, including an extended Flory Huggins Interaction Parameter χ to initially probe the interactions and miscibility between ester monomers commonly used in coil coatings. This work indicates that blends with similar backbone structures or “like with like” show increased miscibility and those with different structures lead to a large χ value and immiscibility. Further to this, polyester blends with different backbone structures have then been coarse grained with MARTINI beads and simulations of 10 µs have been run to identify the morphology of the blends at the mesoscopic level. Finally, the melamine crosslinker commonly used in polyester formulations has previously been shown to form agglomerates at higher melamine content, these agglomerates have been shown in atomistic simulations.

A Molecular Dynamics Study on the Miscibility and Morphology of Polyester Blends used in Coil Coatings

Computational simulations can be used to save on both time and costs, complementing experimental work and providing further guidance. Immiscible polymer blends induce phase segregation, and in some cases can produce useful multicoat systems. This works uses a range of Molecular Dynamics Simulations methods, including an extended Flory Huggins Interaction Parameter χ to initially probe the interactions and miscibility between ester monomers commonly used in coil coatings. This work indicates that blends with similar backbone structures or “like with like” show increased miscibility and those with different structures lead to a large χ value and immiscibility. Further to this, polyester blends with different backbone structures have then been coarse grained with MARTINI beads and simulations of 10 µs have been run to identify the morphology of the blends at the mesoscopic level. Finally, the melamine crosslinker commonly used in polyester formulations has previously been shown to form agglomerates at higher melamine content, these agglomerates have been shown in atomistic simulations.

A Molecular Dynamics Study on the Miscibility and Morphology of Polyester Blends used in Coil CoatingsA Molecular Dynamics Study on the Miscibility and Morphology of Polyester Blends used in Coil Coatings

Computational simulations can be used to save on both time and costs, complementing experimental work and providing further guidance. Immiscible polymer blends induce phase segregation, and in some cases can produce useful multicoat systems. This works uses a range of Molecular Dynamics Simulations methods, including an extended Flory Huggins Interaction Parameter χ to initially probe the interactions and miscibility between ester monomers commonly used in coil coatings. This work indicates that blends with similar backbone structures or “like with like” show increased miscibility and those with different structures lead to a large χ value and immiscibility. Further to this, polyester blends with different backbone structures have then been coarse grained with MARTINI beads and simulations of 10 µs have been run to identify the morphology of the blends at the mesoscopic level. Finally, the melamine crosslinker commonly used in polyester formulations has previously been shown to form agglomerates at higher melamine content, these agglomerates have been shown in atomistic simulations.