QUANTITATIVE COMPARISON OF SELF-CONSISTENT-FIELD THEORIES FOR POLYMERS NEAR INTERFACES WITH MONTE-CARLO SIMULATIONS
QUANTITATIVE COMPARISON OF SELF-CONSISTENT-FIELD THEORIES FOR POLYMERS NEAR INTERFACES WITH MONTE-CARLO SIMULATIONS
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DOI：
10.1021/ma00129a024
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发表时间：
1995-12-04
期刊：
影响因子：
5.5
通讯作者：
MULLER, M
中科院分区：
文献类型：
--
作者：
SCHMID, F;MULLER, M
用自洽场理论研究了对称高分子共混物中不溶相之间的平面界面，分别讨论了完全柔性（高斯）链和半柔性（蠕虫状）链。浓度和密度分布，链端分布，界面张力，以及整个链和单个单体的取向顺序进行了计算。的结果进行了比较，从Monte Carlo模拟的数据。质量协议总体上非常好。定量地，该理论成功地预测正确的配置文件的宽度只有在极限的非常长的链长度，只有小的值的Flory-Huggins参数chi。
A planar interface between immiscible phases in a symmetric polymer blend is studied in self-consistent field theory for completely flexible (Gaussian) and semiflexible (wormlike) chains. Concentration and density profiles, chain end distributions, interfacial tensions, and the orientational order of whole chains and single monomers are calculated. The results are compared with data from Monte Carlo simulations. The qualitative agreement is overall very good. Quantitatively, the theory succeeds in predicting the correct profile widths only in the limit of extremely long chain lengths, and only for small values of the Flory-Huggins parameter chi.