Phase-Field Simulation of Polymerization-Induced Phase Separation: II. Effect of Volume Fraction and Mobility of Network Polymer

• Higuchi Takeshi

  Department of Chemistry and Chemical Engineering, Yamagata University

• Yano Yusuke

  Department of Chemistry and Chemical Engineering, Yamagata University

• Aita Tadahiro

  Department of Chemistry and Chemical Engineering, Yamagata University

• Takami Seiichi

  Institute of Multidisciplinary Research for Advanced Materials, Tohoku University

• Adschiri Tadafumi

  World Premier International Research Center, Advanced Institute for Materials Research (WPI-AIMR), Tohoku University

Bibliographic Information

Other Title

• Phase-Field Simulation of Polymerization-Induced Phase Separation(2)Effect of Volume Fraction and Mobility of Network Polymer

Abstract

Simulation of polymerization-induced phase separation of a polymer gel from a multifunctional monomer was carried out using the phase field method. The mobility was assumed to depend negatively and sigmoidally on the volume fraction of the polymer, considering the steric rigidity of the polymeric species of the multifunctional monomer. The results showed that the volume ratio of the polymer phase and solvent phase was well responsive to the volume fraction of the polymer. The whole of the system was composed of the polymer phase, and no solvent phase was formed even when the volume fraction of the polymer was less than 0.6. It was also revealed that the solvent phase formed a bimodal morphology, in which the smaller solvent phases were dispersed in the polymer phases, while the larger solvent phases had a continuous or dispersed morphology. Inversion of the gradient of chemical potential near the interface between the larger solvent phase and the polymer phase was proposed as a mechanism for the formation of the bimodal morphology. The feature of the phase structure of the macroporous silica prepared via polymerization-induced phase separation qualitatively agreed with the simulation results.

Journal

• JOURNAL OF CHEMICAL ENGINEERING OF JAPAN

  JOURNAL OF CHEMICAL ENGINEERING OF JAPAN 50 (2), 79-85, 2017

  The Society of Chemical Engineers, Japan

Keywords

• Bicontinuous Macroporous Structure
• Cahn–Hilliard Equation
• Phase Field Method
• Polymerization-Induced Phase Separation
• Spinodal Decomposition

Details

• CRID: 1390282679544171392
• NII Article ID: 130005241905
• NII Book ID: AA00709658
• DOI: 10.1252/jcej.16we037
• ISSN: 18811299
• ISSN: 00219592
• NDL BIB ID: 028063604
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I028063604
• Web Site: https://www.jstage.jst.go.jp/article/jcej/50/2/50_16we037/_pdf
• Text Lang: en
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed