Rapid Identification and Quantitative Analysis of Polycarboxylate Superplasticizers Using ATR-FTIR Spectroscopy Combined with Chemometric Methods

Rapid Identification and Quantitative Analysis of Polycarboxylate Superplasticizers Using ATR-FTIR Spectroscopy Combined with Chemometric Methods
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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减水剂

DOI:
10.1155/2021/6613382
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发表时间:
2021-01
影响因子:
--
通讯作者:
Wang Jiadong
Wang Jiadong
中科院分区:
工程技术4区
文献类型:
--
作者:
Li Zhiwei;Li Bo;Zhao Zhizhong;Ma Weizhong;Li Wenju;Wang Jiadong

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基于宏观性能的聚羧酸系高效减水剂(PCE)质量检测方法虽然仍被广泛采用,但存在耗时长、精度低的缺点。本研究旨在开发一种切实可行的替代方法来检测四氯乙烯的质量。为此,对PCE样品进行光谱采集、特征提取和聚类分析,以验证该方法的可行性。此外,本文还介绍了一种新的相似度计算方法。结果表明,采用简单的加热方法可以制备出用于光谱采集的固体PCE样品。红外光谱仪配合ATR附件可快速采集高质量的光谱。同时,分类和聚类的准确率较高,表明基于主成分分析(PCA)的特征提取方法是有效的。此外,与传统的余弦角和相关系数的相似度计算方法相比,新的相似度计算方法取得了更好的分类效果和更好的泛化能力。本工作为建筑工地PCE的定量分析和快速鉴定提供了一种方法。
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.
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