{"title":"基于多维光谱的分散染料浓度分割建模与分析","authors":"Jianxin Zhang, Xuejiao Huang, Huayan Zheng, Miao Qian","doi":"10.1111/cote.12714","DOIUrl":null,"url":null,"abstract":"<p>Since the water-insoluble dispersing dye has both absorption and scattering characteristics, a spatial resolution hyperspectral measurement approach and experimental testing was proposed in this article, which can collect spectral and spatial data from samples simultaneously. The concentration of 81 groups of three-component disperse dye samples were measured. However, the hyperspectral data of dye solutions in the 420–800 nm band is saturated, resulting in the inability for multispectral data processing. A segmented concentration quantitative analysis model was developed. For the unsaturated band (420–510 nm), the partial least squares (PLS), the N-way partial least squares (NPLS), and support vector machine (SVM) models using the data points on the <i>X</i>-axis of a two-dimensional light intensity distribution map were established. The predicted performance of PLS model was worse slightly than that of the other two models, The coefficient of determination (<i>R</i><sup>2</sup>) values of concentrations for red, orange and blue disperse dye were 0.888, 0.796 and 0.959, respectively. For saturated band (520–670 nm), the NPLS and SVM models using the data points on the <i>X-</i> and <i>Y</i>-axis were established. Results shows that the prediction accuracy of concentrations of the three-component disperse dye was increased by adding additional data points on the <i>Y</i>-axis, with <i>R</i><sup>2</sup> values of 0.944, 0.807, and 0.912, respectively. For the strong scattering band (680–800 nm), a SVM model was established, and <i>R</i><sup>2</sup> of concentration of the three dyes reached 0.974, 0.933 and 0.995, respectively. The results showed that multidimensional spectroscopy method can improve the prediction accuracy of component concentration of disperse dye solution, by using more spectral information from <i>X</i> and <i>Y</i> directions.</p>","PeriodicalId":10502,"journal":{"name":"Coloration Technology","volume":"140 2","pages":"287-299"},"PeriodicalIF":2.0000,"publicationDate":"2023-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Segmented modelling and analysis of disperse dye concentration based on multidimensional spectrum\",\"authors\":\"Jianxin Zhang, Xuejiao Huang, Huayan Zheng, Miao Qian\",\"doi\":\"10.1111/cote.12714\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Since the water-insoluble dispersing dye has both absorption and scattering characteristics, a spatial resolution hyperspectral measurement approach and experimental testing was proposed in this article, which can collect spectral and spatial data from samples simultaneously. The concentration of 81 groups of three-component disperse dye samples were measured. However, the hyperspectral data of dye solutions in the 420–800 nm band is saturated, resulting in the inability for multispectral data processing. A segmented concentration quantitative analysis model was developed. For the unsaturated band (420–510 nm), the partial least squares (PLS), the N-way partial least squares (NPLS), and support vector machine (SVM) models using the data points on the <i>X</i>-axis of a two-dimensional light intensity distribution map were established. The predicted performance of PLS model was worse slightly than that of the other two models, The coefficient of determination (<i>R</i><sup>2</sup>) values of concentrations for red, orange and blue disperse dye were 0.888, 0.796 and 0.959, respectively. For saturated band (520–670 nm), the NPLS and SVM models using the data points on the <i>X-</i> and <i>Y</i>-axis were established. Results shows that the prediction accuracy of concentrations of the three-component disperse dye was increased by adding additional data points on the <i>Y</i>-axis, with <i>R</i><sup>2</sup> values of 0.944, 0.807, and 0.912, respectively. For the strong scattering band (680–800 nm), a SVM model was established, and <i>R</i><sup>2</sup> of concentration of the three dyes reached 0.974, 0.933 and 0.995, respectively. The results showed that multidimensional spectroscopy method can improve the prediction accuracy of component concentration of disperse dye solution, by using more spectral information from <i>X</i> and <i>Y</i> directions.</p>\",\"PeriodicalId\":10502,\"journal\":{\"name\":\"Coloration Technology\",\"volume\":\"140 2\",\"pages\":\"287-299\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2023-07-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Coloration Technology\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1111/cote.12714\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Coloration Technology","FirstCategoryId":"88","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1111/cote.12714","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
引用次数: 0
摘要
由于水不溶性分散染料具有吸收和散射两种特性,本文提出了一种空间分辨率高光谱测量方法和实验测试,可同时采集样品的光谱和空间数据。测量了 81 组三组份分散染料样品的浓度。然而,染料溶液在 420-800 nm 波段的高光谱数据已经饱和,导致无法进行多光谱数据处理。我们开发了一个分段浓度定量分析模型。针对不饱和波段(420-510 nm),利用二维光强分布图 X 轴上的数据点建立了偏最小二乘法(PLS)、N 路偏最小二乘法(NPLS)和支持向量机(SVM)模型。红色、橙色和蓝色分散染料浓度的判定系数(R2)分别为 0.888、0.796 和 0.959。对于饱和波段(520-670 nm),利用 X 轴和 Y 轴上的数据点建立了 NPLS 和 SVM 模型。结果表明,在 Y 轴上增加数据点后,三组分分散染料浓度的预测精度提高了,R2 值分别为 0.944、0.807 和 0.912。对于强散射波段(680-800 nm),建立了 SVM 模型,三种染料浓度的 R2 分别达到 0.974、0.933 和 0.995。结果表明,多维光谱法可以利用更多来自 X 和 Y 方向的光谱信息,提高分散染料溶液组分浓度的预测精度。
Segmented modelling and analysis of disperse dye concentration based on multidimensional spectrum
Since the water-insoluble dispersing dye has both absorption and scattering characteristics, a spatial resolution hyperspectral measurement approach and experimental testing was proposed in this article, which can collect spectral and spatial data from samples simultaneously. The concentration of 81 groups of three-component disperse dye samples were measured. However, the hyperspectral data of dye solutions in the 420–800 nm band is saturated, resulting in the inability for multispectral data processing. A segmented concentration quantitative analysis model was developed. For the unsaturated band (420–510 nm), the partial least squares (PLS), the N-way partial least squares (NPLS), and support vector machine (SVM) models using the data points on the X-axis of a two-dimensional light intensity distribution map were established. The predicted performance of PLS model was worse slightly than that of the other two models, The coefficient of determination (R2) values of concentrations for red, orange and blue disperse dye were 0.888, 0.796 and 0.959, respectively. For saturated band (520–670 nm), the NPLS and SVM models using the data points on the X- and Y-axis were established. Results shows that the prediction accuracy of concentrations of the three-component disperse dye was increased by adding additional data points on the Y-axis, with R2 values of 0.944, 0.807, and 0.912, respectively. For the strong scattering band (680–800 nm), a SVM model was established, and R2 of concentration of the three dyes reached 0.974, 0.933 and 0.995, respectively. The results showed that multidimensional spectroscopy method can improve the prediction accuracy of component concentration of disperse dye solution, by using more spectral information from X and Y directions.
期刊介绍:
The primary mission of Coloration Technology is to promote innovation and fundamental understanding in the science and technology of coloured materials by providing a medium for communication of peer-reviewed research papers of the highest quality. It is internationally recognised as a vehicle for the publication of theoretical and technological papers on the subjects allied to all aspects of coloration. Regular sections in the journal include reviews, original research and reports, feature articles, short communications and book reviews.