Monte Carlo simulation of self-avoiding lattice chains subject to simple shear flow Part II. Three-dimensional results and comparison with experiments
文献类型：期刊论文
| 作者 | Xu, GQ; Ding, JD; Yang, YL |
| 刊名 | POLYMER
 |
| 出版日期 | 2000-04-01 |
| 卷号 | 41期号:9页码:3289-3295 |
| 关键词 | Monte Carlo Simulation Simple Shear Flow Thinning Effect |
| ISSN号 | 0032-3861 |
| 英文摘要 | This paper has extended a lattice Monte Carlo (MC) method to simulate the simple shear flow of multiple self-avoiding chains in three dimensions following our research work in two dimensions. Comparisons of simulation outputs with experimental observations, theoretical predictions and other simulation results are made. The steady-stare scaling analysis to scattering functions of deformed chains confirms the existence of anisotropic scaling laws at fixed reduced shear rates found in molecular dynamics (MD) simulation. The exponent of chain deformation shown in the MC simulation falls into a normal regime measured from neutron scattering and light scattering experiments. The relation between orientation angles and shear rates is consistent with some scattering experiments. Both Newtonian and non-Newtonian regimes are reproduced in our lattice MC simulation. Non-zero first and second normal stress differences and their dependence of the shear rate are found, as well as the shear thinning effect. The stress growth at inception and stress decay after cessation of shear flow is also examined. The validity of our novel simulation approach is thus confirmed. Since both chain conformations and rheological properties under shear flow can be studied, our MC approach can be used to reveal non-linear viscoelasticity of polymer fluids and polymer-flow interaction. (C) 2000 Elsevier Science Ltd. All rights reserved. |
| 语种 | 英语 |
| WOS记录号 | WOS:000084879200020 |
| 出版者 | ELSEVIER SCI LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75699]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Ding, JD |
| 作者单位 | 1.Fudan Univ, Lab Mol Engn Polymers, Dept Macromol Sci, Shanghai 200433, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, GQ,Ding, JD,Yang, YL. Monte Carlo simulation of self-avoiding lattice chains subject to simple shear flow Part II. Three-dimensional results and comparison with experiments[J]. POLYMER,2000,41(9):3289-3295. |
| APA | Xu, GQ,Ding, JD,&Yang, YL.(2000).Monte Carlo simulation of self-avoiding lattice chains subject to simple shear flow Part II. Three-dimensional results and comparison with experiments.POLYMER,41(9),3289-3295. |
| MLA | Xu, GQ,et al."Monte Carlo simulation of self-avoiding lattice chains subject to simple shear flow Part II. Three-dimensional results and comparison with experiments".POLYMER 41.9(2000):3289-3295. |
入库方式： OAI收割
来源：化学研究所
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