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Rapid Identification and Quantitative Analysis of Polycarboxylate Superplasticizers Using ATR-FTIR Spectroscopy Combined with Chemometric Methods
Mathematical Problems in Engineering Pub Date : 2021-01-21 , DOI: 10.1155/2021/6613382
Zhiwei Li 1 , Bo Li 1 , Zhizhong Zhao 2 , Weizhong Ma 3 , Wenju Li 1 , Jiadong Wang 1
Affiliation  

Although the quality inspection method of polycarboxylate superplasticizers (PCE) based on macroperformance is still widely used, it has the drawbacks of time-consuming and low precision. This study aims to develop a practicable alternative method for quality inspection of PCE. For this, spectra collection, feature extraction, and cluster analysis were performed up on the PCE samples to demonstrate the feasibility of the method. Also, a new similarity calculation method was introduced in this work. Results show that the solid PCE sample for spectrum collection can be prepared using the simple heating method. High-quality spectra can be rapidly collected by infrared spectrometer combined with ATR accessory. Meanwhile, the accuracy of classification and clustering is high, suggesting that the feature extraction method based on principal component analysis (PCA) is effective. In addition, compared with conventional similarity calculation methods of cosine angle and correlation coefficient, the new similarity calculation method achieves better classification results and better generalization ability. This work provides a method of quantitative analysis and rapid identification of PCE for the construction site.

中文翻译:

ATR-FTIR光谱结合化学计量学方法快速鉴定和定量分析聚羧酸类高效减水剂

尽管基于宏观性能的聚羧酸类高效减水剂(PCE)的质量检查方法仍被广泛使用,但它具有耗时且精度低的缺点。本研究旨在为PCE的质量检查开发一种可行的替代方法。为此,对PCE样品进行了光谱收集,特征提取和聚类分析,以证明该方法的可行性。此外,这项工作中引入了一种新的相似度计算方法。结果表明,可以使用简单的加热方法制备用于光谱收集的固体PCE样品。结合ATR附件的红外光谱仪可以快速收集高质量的光谱。同时,分类和聚类的准确性很高,这表明基于主成分分析(PCA)的特征提取方法是有效的。另外,与传统的余弦角和相关系数相似度计算方法相比,新的相似度计算方法具有更好的分类效果和更好的泛化能力。这项工作为施工现场的PCE提供了定量分析和快速识别的方法。
更新日期:2021-01-21
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