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Computer simulation study on the shear-induced phase separation in semi-dilute polymer solutions by using Ianniruberto-Marrucci model |
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| Authors: | Shotaro Nishitsuji Takashi Taniguchi |
| Affiliation: | a Graduate School of Science and Engineering, Yamagata University, Yonezawa 992-8510, Japan b Department of Polymer Chemistry, Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan c Department of Chemical Engineering, Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan |
| Abstract: | In our previous study, a computer simulation scheme based on Doi-Onuki theory is proposed to simulate the dynamics of the shear-induced phase separation in semi-dilute polymer solutions KOBUNSHI RONBUNSHU 2007, 64, 324]. The scheme employs Ianniruberto-Marrucci model as a constitutive equation to express the viscoelastic behavior of the solution explicitly. The scheme enables us to simulate the time-evolution of stress as well as that of shear-induced structure upon shear-jump. In this study, we focus on the conformation of polymer chains. The dynamics of the polymer chains agrees with those in the “solvent squeeze” model which interprets the shear-induced phase separation phenomena in semi-dilute polymer solutions by Saito et al. Macromolecules 1999, 32, 4879]. |
| Keywords: | Shear-induced phase separation Doi-Onuki thoery Ianniruberto-Marrucci model |
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