Computer simulation study on the shear-induced phase separation in semi-dilute polymer solutions by using Ianniruberto-Marrucci model

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].

Graphical abstractDownload full-size image