THE PHASE-DIAGRAM OF THE FLORY-HUGGINS-DE GENNES MODEL OF A BINARY POLYMER BLEND
THE PHASE-DIAGRAM OF THE FLORY-HUGGINS-DE GENNES MODEL OF A BINARY POLYMER BLEND
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DOI：
10.1007/bf02186853
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发表时间：
1994-10-01
影响因子：
1.6
通讯作者：
TORAL, R
中科院分区：
文献类型：
--
作者：
FORREST, BM;TORAL, R
我们进行了数值研究的Flory-Huggins-de Gennes功能在d=3维描述的聚合物共混物。通过离散的三维晶格上的功能，并采用混合蒙特卡罗模拟算法，我们调查到什么程度的列入本地聚合物浓度的波动描述的术语改变了模型的相图。我们发现，尽管相对较小的重量的波动项，共存曲线移动了一个可观的量从天真的平均场理论，忽略了这样的空间波动预测。移动的方向是一致的，已经在实验中观察到的，并在微观模型的聚合物共混物的模拟。一个有限尺度的尺度分析表明，该模型的临界行为似乎属于三维伊辛普适类，而不是平均场的性质。
We undertake a numerical study of the Flory-Huggins-de Gennes functional in d=3 dimensions describing a polymer blend. By discretising the functional on a three-dimensional lattice and employing the hybrid Monte Carlo simulation algorithm, we investigate to what extent the inclusion of the term describing fluctuations in local polymer concentration alters the phase diagram of the model. We find that, despite the relatively small weight of the fluctuation term, the coexistence curve is shifted by an appreciable amount from that predicted by naive mean-field theory, which ignores such spatial fluctuations. The direction of the shift is consistent with that already observed in experiment and in simulations of microscopic models of polymer blends. A finite-size scaling analysis indicates that the critical behavior of the model seems to belong to the 3D Ising universality class rather than being mean-field in nature.