Uchida Kiminori, Mita Kazuki, Yamamoto Satoru, Tanaka Keiji
Mitsui Chemicals Inc., Chiba 299-0265, Japan.
Department of Applied Chemistry, Kyushu University, Fukuoka 819-0395, Japan.
ACS Macro Lett. 2020 Nov 17;9(11):1576-1581. doi: 10.1021/acsmacrolett.0c00638. Epub 2020 Oct 20.
The local conformation of polystyrene (PS) at the phase-separated lamellar interface with poly(methyl methacrylate) (PMMA) in their diblock copolymer (BCP) was examined by sum-frequency generation spectroscopy in conjunction with a full-atomistic molecular dynamics simulation. While PS phenyl groups of BCP were oriented in the interfacial region, they were random in the bulk. Such an interfacial orientation of phenyl groups was not clear for the corresponding blend of PS and PMMA. The PS backbone of BCP was in-plane oriented and folded near to the chemical junction point located in the interfacial region and the orientation became random at several nanometers distant. No evidence for the chain folding at the interface was found for the blend system.
通过和频振动光谱结合全原子分子动力学模拟，研究了聚苯乙烯（PS）与聚甲基丙烯酸甲酯（PMMA）的二嵌段共聚物（BCP）在相分离层状界面处的局部构象。虽然BCP中的PS苯基在界面区域呈取向排列，但在本体中是随机的。对于PS和PMMA的相应共混物，苯基的这种界面取向并不明显。BCP的PS主链在界面区域内呈面内取向并在靠近化学连接点处折叠，且在几纳米远处取向变得随机。在共混体系中未发现界面处链折叠的证据。
