Department of Chemistry, University of Virginia, Charlottesville, Virginia 22901, USA.
J Chem Phys. 2012 Aug 14;137(6):064907. doi: 10.1063/1.4742934.
This work studies surface instabilities in switchable homopolymer brushes where the minority chain differs in length from the brush chains. Both off-lattice numerical self-consistent field theory and classical density functional theory are employed. It is found that the two methods agree well with each other as long as the same equation of state for the polymer chains is used.
这项工作研究了在可切换均聚物刷中表面不稳定性,其中少数链的长度与刷链不同。同时使用了非格点数值自洽场理论和经典密度泛函理论。只要使用相同的聚合物链状态方程,就会发现这两种方法彼此吻合得很好。