Monte Carlo simulation of self-avoiding lattice chains subject to oscillatory shear flow in polymer solution |
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Authors: | Guoqiang Xu Jiandong Ding Yuliang Yang |
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Affiliation: | (1) Department of Macromolecular Science Key Laboratory of Molecular Engineering of Polymers, Fudan University Shanghai 200433, China e-mail: jdding1@fudan.edu.cn, CN |
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Abstract: | This paper has introduced a pseudo-potential in bond-fluctuation model to simulate oscillatory shear flow of multiple self-avoiding chains in three dimensions following our previous work under simple shear flow. The oscillatory flow field was reasonably reproduced by lattice Monte Carlo simulation using this pseudo-potential neglecting hydrodynamic interaction. By sampling the configuration distribution functions, the macroscopic viscoelasticity of semi-concentrated polymer solution was determined. Both Newtonian and non-Newtonian regimes were studied. The complex modulus and dynamic viscosity exhibit a reasonable power relation with oscillatory frequency, which is consistent with present theories and experiments. Consequently, lattice Monte Carlo simulation has been extended to model free-draining self-avoiding multi chains subject to oscillatory shear flow and to investigate associated viscoelasticity on the molecular level. Received: 1 October 1999 Accepted: 19 October 1999 |
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Keywords: | Oscillatory shear flow Polymeric chain Monte Carlo simulation Viscoelasticity |
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