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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)

Abstract

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.

Keywords

Block Copolymer Triblock Copolymer Chain Conformation Gradient Coefficient Styrene Block 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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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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