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Morphology control in polymer blend fibers-a high throughput computing approach

机译:聚合物共混纤维的形态控制-高通量计算方法

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摘要

Fibers made from polymer blends have conventionally enjoyed wide use, particularly in textiles. This wide applicability is primarily aided by the ease of manufacturing such fibers. More recently, the ability to tailor the internal morphology of polymer blend fibers by carefully designing processing conditions has enabled such fibers to be used in technologically relevant applications. Some examples include anisotropic insulating properties for heat and anisotropic wicking of moisture, coaxial morphologies for optical applications as well as fibers with high internal surface area for filtration and catalysis applications. However, identifying the appropriate processing conditions from the large space of possibilities using conventional trial-and-error approaches is a tedious and resource-intensive process. Here, we illustrate a high throughput computational approach to rapidly explore and characterize how processing conditions (specifically blend ratio and evaporation rates) affect the internal morphology of polymer blends during solvent based fabrication. We focus on a PS: PMMA system and identify two distinct classes of morphologies formed due to variations in the processing conditions. We subsequently map the processing conditions to the morphology class, thus constructing a 'phase diagram' that enables rapid identification of processing parameters for specific morphology class. We finally demonstrate the potential for time dependent processing conditions to get desired features of the morphology. This opens up the possibility of rational stage-wise design of processing pathways for tailored fiber morphology using high throughput computing.
机译:传统上,由聚合物共混物制成的纤维具有广泛的用途,特别是在纺织品中。这种广泛的适用性主要是由于容易制造这种纤维而得到的。最近,通过仔细地设计加工条件来定制聚合物共混物纤维的内部形态的能力使得这种纤维能够用于技术上相关的应用中。一些示例包括用于热量的各向异性绝缘性能和湿气的各向异性芯吸,用于光学应用的同轴形态以及用于过滤和催化应用的具有高内表面积的纤维。但是,使用常规的试错法从大范围的可能性中确定适当的处理条件是一个繁琐且耗费资源的过程。在这里,我们说明了一种高通量计算方法,可以快速探索和表征处理条件(特别是共混比和蒸发速率)如何在基于溶剂的制造过程中影响聚合物共混物的内部形态。我们专注于PS:PMMA系统,并确定由于加工条件的变化而形成的两种不同的形态。随后,我们将加工条件映射到形态学类别,从而构建了一个“相图”,从而可以快速识别特定形态学类别的加工参数。我们最终证明了随时间变化的处理条件可能会获得所需的形态特征。这为使用高通量计算为定制的纤维形态合理地分阶段设计加工路径提供了可能性。

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