Abstract
We present a three-dimensional phase-field simulation of membrane porous structure formation via spinodal decomposition by the thermally induced phase separation (TIPS) method. The free energy of the polymer solution system was described based on the Flory-Huggins theory, and the mobility was calculated from the solvent self-diffusion coefficients estimated by the free-volume theory of Vrentas and Duta. We explored the effects of initial polymer concentration, quench temperature, and gradient energy parameter on the membrane morphology evolution. The initial domain size increased with the decreasing driving force for the spinodal decomposition and the increasing contribution of the gradient energy to the total energy. The morphology evolution during the intermediate and late stage of spinodal decomposition also depended on the membrane morphology formed at the initial stage, such as bicontinuous or droplet structures. We also simulated the membrane formation under the influence of a polymer concentration gradient in the TIPS process. The polymer concentration gradient led to the formation of membranes with anisotropic pore structures.
| Original language | English |
|---|---|
| Pages (from-to) | 104-111 |
| Number of pages | 8 |
| Journal | Journal of Membrane Science |
| Volume | 483 |
| DOIs | |
| Publication status | Published - Jun 1 2015 |
| Externally published | Yes |
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Keywords
- Phase separation
- Phase-field method
- Porous polymer membrane
- Spinodal decomposition
- Thermally induced phase separation (TIPS)
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Materials Science(all)
- Biochemistry
- Filtration and Separation
Cite this
Three-dimensional phase-field simulations of membrane porous structure formation by thermally induced phase separation in polymer solutions. / Mino, Yasushi; Ishigami, Toru; Kagawa, Yusuke; Matsuyama, Hideto.
In: Journal of Membrane Science, Vol. 483, 01.06.2015, p. 104-111.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Three-dimensional phase-field simulations of membrane porous structure formation by thermally induced phase separation in polymer solutions
AU - Mino, Yasushi
AU - Ishigami, Toru
AU - Kagawa, Yusuke
AU - Matsuyama, Hideto
PY - 2015/6/1
Y1 - 2015/6/1
N2 - We present a three-dimensional phase-field simulation of membrane porous structure formation via spinodal decomposition by the thermally induced phase separation (TIPS) method. The free energy of the polymer solution system was described based on the Flory-Huggins theory, and the mobility was calculated from the solvent self-diffusion coefficients estimated by the free-volume theory of Vrentas and Duta. We explored the effects of initial polymer concentration, quench temperature, and gradient energy parameter on the membrane morphology evolution. The initial domain size increased with the decreasing driving force for the spinodal decomposition and the increasing contribution of the gradient energy to the total energy. The morphology evolution during the intermediate and late stage of spinodal decomposition also depended on the membrane morphology formed at the initial stage, such as bicontinuous or droplet structures. We also simulated the membrane formation under the influence of a polymer concentration gradient in the TIPS process. The polymer concentration gradient led to the formation of membranes with anisotropic pore structures.
AB - We present a three-dimensional phase-field simulation of membrane porous structure formation via spinodal decomposition by the thermally induced phase separation (TIPS) method. The free energy of the polymer solution system was described based on the Flory-Huggins theory, and the mobility was calculated from the solvent self-diffusion coefficients estimated by the free-volume theory of Vrentas and Duta. We explored the effects of initial polymer concentration, quench temperature, and gradient energy parameter on the membrane morphology evolution. The initial domain size increased with the decreasing driving force for the spinodal decomposition and the increasing contribution of the gradient energy to the total energy. The morphology evolution during the intermediate and late stage of spinodal decomposition also depended on the membrane morphology formed at the initial stage, such as bicontinuous or droplet structures. We also simulated the membrane formation under the influence of a polymer concentration gradient in the TIPS process. The polymer concentration gradient led to the formation of membranes with anisotropic pore structures.
KW - Phase separation
KW - Phase-field method
KW - Porous polymer membrane
KW - Spinodal decomposition
KW - Thermally induced phase separation (TIPS)
UR - http://www.scopus.com/inward/record.url?scp=84925012742&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84925012742&partnerID=8YFLogxK
U2 - 10.1016/j.memsci.2015.02.005
DO - 10.1016/j.memsci.2015.02.005
M3 - Article
VL - 483
SP - 104
EP - 111
JO - Jornal of Membrane Science
JF - Jornal of Membrane Science
SN - 0376-7388
ER -