Computer simulation study on the shear-induced phase separation in semidilute polymer solutions in 3-dimensional space
Computer simulation study on the shear-induced phase separation in semidilute polymer solutions in 3-dimensional space
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三维空间半稀聚合物溶液剪切诱导相分离的计算机模拟研究
DOI：
10.1016/j.polymer.2006.08.024
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发表时间：
2006
期刊：
影响因子：
4.6
通讯作者：
T. Hashimoto
中科院分区：
文献类型：
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作者：
M. Takenaka;S. Nishitsuji;T. Taniguchi;M. Yamaguchi;K. Tada;T. Hashimoto
本文采用Doi-Onuki理论在三维空间中对高分子半稀溶液中的剪切诱导相分离和/或浓度波动现象进行了计算机模拟研究。在剪切流作用下，浓度波动增强，qx-qz平面上的散射函数呈现出实验观察到的所谓的蝴蝶图案，其中qx和qz分别为流向和中性方向的散射矢量分量。qx-qz平面散射函数中峰位和峰位处强度随时间的变化可分为两个区域：随时间的推移，峰位变小，峰强度增大，然后峰位和强度趋于恒定，系统达到稳态。这与实验结果定性一致。然而，计算机模拟结果表明，在稳定状态下的峰位置几乎是无关的剪切速率，而在稳定状态下的峰位置与剪切速率的减少已被观察到的实验。这种分歧源于在计算机模拟中使用了最简单的本构方程。
We investigated the shear-induced phase separation and/or concentration fluctuation phenomena in semidilute polymer solution by using computer simulation in 3-dimensional space with Doi–Onuki theory. The enhancement of the concentration fluctuations occurs under shear flow and the scattering function in qx–qzplane exhibits the so-called butterfly pattern as observed experimentally, where qxand qzare the components of the scattering vector for flow direction and neutral direction, respectively. The time changes in the peak position and the intensity at peak position in the scattering function in qx–qzplane can be divided into two regions: the peak position becomes smaller and the peak intensity increases with t, and then the peak position and intensity become constant and the system reaches its steady state. These agree with the experimental results qualitatively. However, the computer simulation results indicate that the peak position at the steady state is almost independent of the shear rate, while the decrease in the peak position at steady state with shear rate has been observed experimentally. This disagreement originates from the use of the simplest constitutive equation in the computer simulation.
影响因子：
4.6
作者：
Toyoda, N;Takenaka, M;Hashimoto, T
通讯作者：
Hashimoto, T
“连续剪切流下半稀聚合物溶液的结构因子：二流体模型的数值分析及与实验的比较”高分子。
DOI：
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