Computer Simulation of the Phase Separation of Polymeric Materials for Industrial Applications
Mixtures of polymers and polymer solutions are easily separated into two phases in a manner similar to water and oil. Even block copolymers, which have a chain of multiple blocks possessing different chemical structures, exhibit a multiphase structure. Such multiphase structures of polymeric materials exhibit unique forms and properties that cannot be reproduced by a simple homogeneous mixture of materials, and controlling the dynamics of the phase separation is very important for developing highly functional materials for industry. Computational simulation is a powerful tool for studying the dynamics of phase separation. There are many approaches for studying phase behavior, including particle models such as the lattice and off-lattice Monte Carlo models and molecular dynamics, and continuous models such as the self-consistent field (SCF)  and Cahn–Hilliard  theories. We introduce two examples of the computational simulation of phase separation dynamics using continuous models.
KeywordsBlock Copolymer Triblock Copolymer Chain Conformation Gradient Coefficient Styrene Block
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