Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Brownian Dynamics Simulation Study on the Anisotropic FENE Dumbbell Model for Concentrated Polymer Solution and the Melt

  • Published : 20000900
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Abstract

We study the rheological properties of concentrated polymer solution and the melt under simple shear and elon-gational flow using Brownian dynamicssimulation. In order to describe the anisotropic molecular motion, we modifiedthe Giesekus' mobility tensor by incorporating the finitely extensible non-linear elastic (FENE) spring force into dumbbell model. To elucidate the nature of this model, our simulation results are compared with the data of FENE-P ("P"standsfor the Perterin) dumbbell model and experiments. While in steady state both original FENE and FENE-P models exhibit a similar viscosity response,the growthof viscosity becomes dissimilar as the anisotropy decreases and the flowrate increases. The steady state viscosity obtained from the simulation well describes the experiments including the shear-thinning behavior in shear flow and viscosity-thinning behavior in elongational flow. But the growth of viscosity oforiginal FENE dumbbell model cannot describe the experimental results in both flow fields.

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References

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