Netherlands Organization for Applied Scientific Research (TNO), 3584 CBUtrecht, The Netherlands.
Circular Plastics, Department of Circular Chemical Engineering, Faculty of Science and Engineering, Maastricht University, PO Box 616, 6200 MD Maastricht, The Netherlands.
J Chem Inf Model. 2024 Oct 14;64(19):7257-7272. doi: 10.1021/acs.jcim.4c00622. Epub 2024 Sep 19.
One of the challenges in the plastic industry is the cost and time spent on the characterization of different grades of polymers. Compressed sensing is a data reconstruction method that combines linear algebra with optimization schemes to retrieve a signal from a limited set of measurements of that signal. Using a data set of signal examples, a tailored basis can be constructed, allowing for the optimization of the measurements that should be conducted to provide the highest and most robust signal reconstruction accuracy. In this work, compressed sensing was used to predict the values of numerous properties based on measurements for a small subset of those properties. A data set of 21 fully characterized acrylonitrile-butadiene-styrene samples was used to construct a tailored basis to determine the minimal subset of properties to measure to achieve high reconstruction accuracy for the remaining nonmeasured properties. The analysis showed that using only six measured properties, an average reconstruction error of less than 5% can be achieved. In addition, by increasing the number of measured properties to nine, an average error of less than 3% was achieved. Compressed sensing enables experts in academia and industry to substantially reduce the number of properties that must be measured to fully and accurately characterize plastics, ultimately saving both costs and time. In future work, the method should be expanded to optimize not only individual properties but also entire tests used to simultaneously measure multiple properties. Furthermore, this approach can also be applied to recycled materials, of which the properties are more difficult to predict.
塑料行业面临的挑战之一是对不同等级聚合物进行特性描述的成本和时间。压缩感知是一种数据重建方法,它将线性代数与优化方案相结合,从信号的有限测量值中恢复信号。使用信号示例数据集,可以构建定制的基,从而可以优化应进行的测量,以提供最高和最稳健的信号重建准确性。在这项工作中,压缩感知用于根据小部分特性的测量值来预测许多特性的值。使用 21 个完全表征的丙烯腈-丁二烯-苯乙烯样品数据集构建定制的基,以确定要测量的最小特性子集,以实现对其余未测量特性的高重建准确性。分析表明,仅使用六个测量特性,就可以实现平均重建误差小于 5%。此外,通过增加测量特性的数量到九个,可以实现平均误差小于 3%。压缩感知使学术界和工业界的专家能够大大减少必须测量的特性数量,从而全面、准确地对塑料进行特性描述,最终节省成本和时间。在未来的工作中,该方法应扩展到不仅优化单个特性,而且优化用于同时测量多个特性的整个测试。此外,这种方法还可以应用于回收材料,其特性更难预测。