Shen Kuan-Hsuan, Brown Jonathan R, Hall Lisa M
William G. Lowrie Department of Chemical and Biomolecular Engineering, The Ohio State University, 151 West Woodruff Avenue, Columbus, Ohio 43210, United States.
ACS Macro Lett. 2018 Sep 18;7(9):1092-1098. doi: 10.1021/acsmacrolett.8b00506. Epub 2018 Aug 30.
We study transport of penetrants through nanoscale morphologies motivated by common block copolymer morphologies, using confined random walks and coarse-grained simulations. Diffusion through randomly oriented grains is 1/3 for cylinder and 2/3 for lamellar morphologies versus an unconstrained (homopolymer) system, as previously understood. Diffusion in the double gyroid structure depends on the volume fraction and is 0.47-0.55 through the minority phase at 30-50 vol % and 0.73-0.80 through the majority at 50-70 vol %. Thus, among randomly oriented standard minority phase structures with no grain boundary effects, lamellae is preferable for transport.
我们利用受限随机游走和粗粒度模拟方法,研究了渗透剂在受常见嵌段共聚物形态影响的纳米级形态中的传输。如先前所知,与无约束(均聚物)体系相比,通过随机取向晶粒的扩散,对于柱状形态为1/3,对于层状形态为2/3。双连续螺旋状结构中的扩散取决于体积分数,在30 - 50体积%时通过少数相为0.47 - 0.55,在50 - 70体积%时通过多数相为0.73 - 0.80。因此,在没有晶界效应的随机取向标准少数相结构中,层状结构更有利于传输。