Computer Simulation of the Phase Separation of Polymeric Materials for Industrial Applications

  • Takeshi AoyagiEmail author
Conference paper
Part of the Mathematics for Industry book series (MFI, volume 26)


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) [5] and Cahn–Hilliard [2] theories. We introduce two examples of the computational simulation of phase separation dynamics using continuous models.


Block Copolymer Triblock Copolymer Chain Conformation Gradient Coefficient Styrene Block 
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Copyright information

© Springer Nature Singapore Pte Ltd. 2017

Authors and Affiliations

  1. 1.National Institute of Advanced Industrial Science and Technology (AIST)TsukubaJapan

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