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Experimental Study of the Influence of Periodic Boundary Conditions: Effects of Finite Size and Faster Cooling Rates on Dissimilar Polymer–Polymer Interfaces
ACS Macro Letters ( IF 5.8 ) Pub Date : 2017-08-07 00:00:00 , DOI: 10.1021/acsmacrolett.7b00485
Roman R. Baglay 1 , Connie B. Roth 1
Affiliation  

Building on our recent work that mapped the profile in local glass transition temperature Tg(z) across a single polystyrene (PS)/poly(n-butyl methacrylate) (PnBMA) interface, we explore the impact of limiting domain size and increasing cooling rate. This study is motivated by traditional computational approaches employed to overcome computer-power limitations, extrapolating short time scales and using periodic boundary conditions that introduce repeating interfaces. Using a localized fluorescence method, we find addition of a second PS/PnBMA interface perturbs the local PS Tg(z) at a distance of z = 100 nm from the first interface when the second interface approaches a distance closer than 300 nm. The local Tg(z) profile across a finite PS domain size of 300 nm for a range of cooling rates shows that limiting domain size and increasing cooling rate (faster time scales) diminishes and truncates the broad asymmetric Tg(z) profile, weakening the confinement effect for dissimilar polymer–polymer interfaces, consistent with previous studies on single-layer polymer films.

中文翻译:

周期性边界条件影响的实验研究:有限尺寸和更快的冷却速率对异种聚合物-聚合物界面的影响

基于我们最近的工作,该工作在单个聚苯乙烯(PS)/聚甲基丙烯酸丁酯(PnBMA)界面上绘制了局部玻璃化转变温度T gz)中的分布图,我们探索了限制晶畴尺寸和增加冷却的影响速度。这项研究的动机是采用传统的计算方法来克服计算机能力的局限性,外推短时标并使用引入重复接口的周期性边界条件。使用的本地化的荧光的方法,我们发现加入第二PS / PnBMA接口扰乱本地PS的Ťž在距离)Ž当第二界面接近小于300 nm的距离时,距第一界面= 100 nm。在一定冷却速率范围内,在300 nm的有限PS域尺寸上的局部T gz)分布图表明,限制域尺寸和增大的冷却速率(较快的时间尺度)会减小并截断宽的不对称T gz)分布图,削弱了对异种聚合物-聚合物界面的约束作用,这与先前对单层聚合物膜的研究一致。
更新日期:2017-08-07
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