Phase-Field Simulation of Polymerization-Induced Phase Separation: I. Effect of Reaction Rate and Coexisting Polymer

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN

Tadafumi Adschiri¹  Seiichi Takami³  Takeshi Higuchi²  Yusuke Yano²  Tadahiro Aita² 

[1] World Premier International Research Center, Advanced Institute for Materials Research (WPI-AIMR), Tohoku University;Department of Chemistry and Chemical Engineering, Yamagata University;Institute of Multidisciplinary Research for Advanced Materials, Tohoku University

关键词: Bicontinuous Macroporous Structure;    Cahn–Hilliard Equation;    Phase Field Method;    Polymerization-Induced Phase Separation;    Spinodal Decomposition;   

DOI  :  10.1252/jcej.13we011

来源: Maruzen Company Ltd

【 摘 要 】

References(17)Cited-By(1)Simulation of polymerization-induced phase separation of a polymer gel from a multifunctional monomer was carried out using the phase field method. To describe the driving force for phase separation, the interfacial energy between the polymeric phase and the aqueous phase was assumed to depend positively on the degree of polymerization, while the thickness of the interface at equilibrium and the mobility were assumed to depend negatively on it. The mobility was also assumed to depend negatively on the volume fraction of the polymer. A sigmoidal function was introduced to describe the nonlinear dependence of the mobility on the volume fraction. The wavelength of phase separation became finer as the polymerization rate increased when the rate of the reaction had a time scale similar to that of diffusion. When a nonreactive polymer coexists in the phase separation, the wavelength of phase separation shrinks because of suppression of diffusion caused by the coexisting polymer. These results qualitatively agreed with the experimental results for macroporous silica prepared via polymerization-induced phase separation.

【 授权许可】

Unknown