Investigation on the application of the TDGL equation in macromolecular microsphere composite hydrogel
Investigation on the application of the TDGL equation in macromolecular microsphere composite hydrogel
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DOI：
10.1039/c2sm26997j
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发表时间：
2013
期刊：
影响因子：
3.4
通讯作者：
D. Zhai;Hui Zhang
中科院分区：
文献类型：
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作者：
D. Zhai;Hui Zhang
本文采用含时Ginzburg-Landau（TDGL）介观模型模拟了高分子微球复合水凝胶的相变过程。根据MMC水凝胶的结构和熵理论，我们提出了这种网状结构的自由能。本文推广了Flory-Huggins提出的聚合物共混体系自由能的平均场理论。采用谱方法数值求解MMC-TDGL方程。数值计算结果与化学实验结果一致，显示了网络结构。根据不同温度下的数值计算结果，我们了解到该体系随反应温度的升高呈现出间歇现象，这很好地解释了化学实验。
Here we use the Time-Dependent Ginzburg–Landau (TDGL) mesoscopic model to simulate the phase transition process of macromolecule microsphere composite (MMC) hydrogel. We propose a free energy for such a reticular structure according to the structures of MMC hydrogel and entropy theory. This work generalizes the mean field theory confined by Flory–Huggins for free energy in a polymer blend system. A spectral method is adopted to numerically solve the MMC-TDGL equation. The numerical results are consistent with chemical experiments, showing the network structure. According to the numerical results at different temperatures, we understand that the system shows intermittent phenomenon with increasing reaction temperature, which is a very good explanation of chemical experiments.