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Tracking Chemical Processing Pathways in Combinatorial Polymer Libraries via Data Mining

机译:通过数据挖掘跟踪组合聚合物库中的化学加工途径

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Changes in the molecular structure and composition of interpenetrating polymer networks (IPNs) can be used to tailor their properties. While the properties of IPNs are typically different than polymer blends, a clear understanding of the impact of changing polymerization sequence on the physical properties and the corresponding molecular bonding is needed. To address this issue, a data mining approach is used to identify the change with polymerization sequence of tensile and rheological properties of acrylate-epoxy IPNs. The experimental approach used to study the molecular structure is high throughput Fourier transform infrared (FTIR) spectroscopy. Analysis of the FTIR spectra of IPNs synthesized with different polymerization sequences leads to an understanding of the molecular bonding responsible for the tensile and rheological properties. From the interpretation of the wavenumber bands and associated molecular bonds, we find that the polymerization sequence most affects hydrogen bonding and aromatic ring bond energies. This work defines the relationships between chemistry, structure, processing, and properties of the IPN samples.
机译:互穿聚合物网络(IPN)的分子结构和组成的变化可用于调整其性能。虽然IPN的特性通常不同于聚合物共混物,但需要清楚地了解改变聚合顺序对物理特性和相应分子键的影响。为了解决此问题,使用数据挖掘方法来识别丙烯酸酯-环氧IPN的拉伸和流变特性随聚合顺序的变化。用于研究分子结构的实验方法是高通量傅立叶变换红外(FTIR)光谱。通过对不同聚合顺序合成的IPN的FTIR光谱进行分析,可以了解导致拉伸和流变性能的分子键。从波数带和相关的分子键的解释,我们发现聚合顺序最影响氢键和芳环键能。这项工作定义了IPN样品的化学,结构,加工和性质之间的关系。

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