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Computer simulation of phase structure and mechanical properties of polymer mixtures
Author(s) -
Matsuoka Takaaki,
Yamamoto Satoru
Publication year - 1998
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/(sici)1097-4628(19980502)68:5<807::aid-app12>3.0.co;2-n
Subject(s) - finite element method , materials science , thermodynamics , phase (matter) , boundary value problem , periodic boundary conditions , shear modulus , polymer , flow (mathematics) , mechanics , composite material , chemistry , physics , mathematics , mathematical analysis , organic chemistry
Computer programs have been developed to predict phase separation, flow‐induced phase structure, and structure‐dependent mechanical properties of binary polymer mixtures. The phase separation is simulated by solving a two‐dimensional Langevin equation with Flory–Huggins free energy using the finite difference method under periodic boundary conditions. The change of phase structure due to flow is predicted by adding a shear flow term to the equation. By generating a finite element mesh from the calculated phase structure, the stress analysis is carried out for estimating the mechanical properties of the system using the finite element method. The elastic modulus and thermal expansion coefficient based on the phase structure were numerically investigated for various volume fractions and properties of components using the developed programs. © 1998 John Wiley & Sons, Inc. J Appl Polym Sci 68:807–813, 1998