近红外漫反射分析技术在测定聚丙烯粉料中二甲苯可溶物方面的应用

文章探讨了利用近红外分析技术快速判断聚丙烯粉料中的二甲苯可溶物含量的应用。用近红外漫反射法收集了样品的近红外光谱图。参照化学计量学分析方法测定聚丙烯样品的二甲苯可溶物含量。利用偏最小二乘法线性回归法建立了聚丙烯二甲苯可溶物的近红外光谱预测模型。将近红外法测定结果与化学分析方法测定结果进行了比较,对光谱测量的重复性进行了考察。结果表明,利用近红外光谱法与化学分析法的测定结果无显著差异。     

近红外技术测定乙烯基含量的应用研究

研究了傅立叶变换近红外光谱技术快速测定共聚聚丙烯中乙烯基含量的分析方法.在中红外透射法得到的测定数据基础上,采用漫反射方式和偏最小二乘法(PLS)及NORRIS平滑等技术,建立了共聚聚丙烯乙烯基定量分析数学模型.通过对工艺技术的研究,得到了比较适宜聚丙烯三井油化工艺的分析模型.实验结果表明:近红外分析法和实验室标准分析方法测定结果之间无显著差别,模型具有很好的稳定性.     

近红外技术在聚丙烯物性测试中的应用研究

介绍了近红外光谱技术在快速测定聚丙烯物性参数中的应用,通过分析化学值的性质,采用漫反射方式和偏最小二乘法（PLS）,建立了聚丙烯粉料的等规指数、熔融指数、乙烯基含量等定量分析数学校正模型并对预测效果进行了检验。近红外光谱技术具有操作简单、快速、重复性好,不污染和破坏样品等优点。     

近红外漫反射分析技术在测定低密度聚乙烯密度的应用

利用近红外漫反射分析技术快速判断低密度聚乙烯密度。用漫反射法收集低密度聚乙烯样品的近红外光谱图。利用梯度柱法测定样品密度。用偏最小二乘线性回归法建立预测模型。对两种方法的结果进行比较并考察光谱测量的重复性。结果表明,近红外光谱法与梯度柱法的测定结果无显著差异。     

聚丙烯粉料乙烯含量测定影响因素研究

利用外商提供的分析方法和一系列标样样片,建立了无规和抗冲共聚聚丙烯中乙烯含量测定的工作曲线,由于聚丙烯粉料样品结构与性质的不稳定性和不均匀性,决定了实际粉料样品乙烯含量在测试处理上往往不能完全与建立标线处理上的一致。通过选取不同牌号乙丙共聚聚丙烯粉料样品,着重试验分析了热压制样中冷却方式、抗氧剂、样品粒径对粉料乙烯含量测定结果的影响。结果表明,热压制样中冷却方式对粉料乙烯含量的测定结果形成了较为明显的影响;同样粉料样品中是否添加抗氧剂及所加抗氧剂的种类对测定结果也构成了很大程度的影响;另外,粉料样品粒径对乙烯含量的测定结果形成了显著的影响。     

透明热封聚丙烯中乙烯含量标准物质定值不确定度的评定

以乙丙丁三元共聚聚丙烯为乙烯含量标准物质定值样品,对乙烯含量测量不确定度的来源进行了分析和评定。结果表明,影响乙丙丁三元共聚聚丙烯乙烯含量标准物质不确定度的因素主要有样品均匀性、样品稳定性和各实验室定值结果的重复性。经过评定,乙丙丁三元共聚聚丙烯乙烯含量标准物质测定的不确定度为0.06,标称值为2.62±0.06。     

基于近红外光谱快速测定雪菊的总黄酮含量

建立了一种近红外漫反射光谱快速测定不同产地雪菊中总黄酮含量的方法.以10个不同产地的100份雪菊样品为对象,采用NaNO2-Al(NO3)3比色法对来自不同产地的雪菊进行总黄酮含量测定;通过不同产地雪菊样品的近红外光谱图和对应的总黄酮含量,运用偏最小二乘法(PLS)建立了雪菊总黄酮含量的快速测定模型并对模型进行了验证....     

基于近红外光谱的茶叶中粗纤维快速测定方法研究

近红外光谱技术由于其操作简单、无需前处理、不破坏样品、无需化学试剂等特点受到人们的青睐,在众多领域得到研究和应用。本文就利用近红外光谱技术快速检测茶叶中粗纤维含量的方法进行研究,首先确定了茶叶样品粉碎时的最佳颗粒度和采集样品近红外光谱时的最佳装样厚度,选用135个茶叶样品作为试验对象,结合国标方法(GB/T 8310-2013)测定样品的粗纤维含量值,利用偏最小二乘方法建立了茶叶中粗纤维含量快速测定的近红外模型,并对60个未参加建模的茶叶样品进行了预测,将模型预测结果与国标方法结果进行成对结果 t检验,统计分析结果证明近红外方法与国标方法不存在显著差异,证明了近红外光谱法在茶叶中粗纤维快速检测中应用的可行性。     

近红外漫反射光谱法快速测定金银花中水分含量

用近红外光谱仪采集中药金银花粉末的近红外漫反射光谱,运用偏最小二乘回归(PLSR)分析建立了金银花中水分含量定量模型,对金银花中的水分含量进行快速测定。该定量模型的相关系数为0.999 12、校正标准差为0.243、预测标准差为0.450;对建立的金银花中水分含量定量模型进行交叉验证,标准差为0.777;采用近红外漫反射光谱法和红外水分仪测定的金银花中水分含量经t检验无显著差异。该方法简便、快速、安全、实用,适用于中药水分含量的快速测定。     

近红外光谱法测定汽油中的芳烃含量

研究了采用近红外光谱测定汽油中芳烃含量的方法,通过汽油单体分析法获得汽油中芳烃的基础数据。在1000～2000nm波长范围内,应用傅立叶变换近红外光谱仪,交互检验偏最小二乘法对使用的近红外光谱数据进行优化,所得校正模型对训练集样品预测的相对平均误差为0.42%,相关系数为0.9696。对未知样品将近红外预测结果与GC的测定结果进行比较,相对平均误差为0.45%。作为一种快速分析技术,近红外光谱测定汽油中芳烃含量是简便可靠的方法。     

In‐line monitoring of polyethylene density using near infrared (NIR) spectroscopy

Density and melt index are two key properties in grading commercial polyolefin polymers. For quality assurance, these properties must be controlled as accurately as possible in the production plant. However, the lack of suitable in‐line sensors for these properties makes feedback quality control difficult. In this study, an in‐line density sensor using near infrared (NIR) spectroscopy is developed. The NIR spectra of molten polyethylene in flow are collected by a fiber‐optic device attached to a single screw extruder. By the ratio of the absorption intensity at 1170 nm to that at 1213 nm, the densities of 14 grades of polyethylene were successfully measured. The results were very promising for quality control in the polyethylene production process.     

Quantitative analysis of palm carotene using fourier transform infrared and near infrared spectroscopy

β-Carotene content is usually determined by using ultraviolet (UV)-visible spectrophotometry at 446 nm. In this study, two spectroscopic techniques, namely, Fourier transform infrared (FTIR) and near infrared (NIR) spectroscopy, have been investigated and compared to UV-visible spectrophotometry to measure the β-carotene content of crude palm oil (CPO). Calibration curves ranging from 200 to 800 ppm were prepared by extracting β-carotene from original CPO using open-column chromatography. Separate partial least squares calibration models were developed for predicting β-carotene based on the spectral region from 976 to 926 cm⁻¹ for FTIR spectroscopy and 546 to 819 nm for NIR spectroscopy. The correlation coefficient (R ²) and standard error of calibration obtained were 0.972 and 25.2 for FTIR and 0.952 and 23.6 for NIR techniques, respectively. The validation set gave R ² of 0.951 with standard error of performance (SEP) of 25.78 for FTIR technique and R ² of 0.979 with SEP of 19.96 for NIR technique. The overall reproducibility and accuracy did not give comparable results to that of spectrophotometric method; however, the standard deviation of prediction was still within ±5% β-carotene content over the range tested. Because of their rapidness and simplicity, both FTIR and NIR techniques provide alternative means of measuring β-carotene content in CPO. In addition, these two spectroscopic techniques are environmentally friendly since no solvent is involved.     

Controlling Argan Seed Quality by NIR

The suitability of using visible/near infrared spectroscopy (Vis/NIR), as a rapid and non‐destructive technique for monitoring the quality of argan seeds (Argania spinosa Skeels) was studied. The analyzed parameters were the fatty acid composition of argan seed oil, seed moisture content, seed oil content and oil stability index (OSI). The ratio between major unsaturated and saturated fatty acids (U/S) during the oxidation assay at constant temperature was studied. Values from infrared drying were used as a laboratory reference for the moisture. Argan seed oil content was determined by Soxhlet extraction. A fatty acid analysis was carried out by gas chromatography and the OSI was determined by the Rancimat test. Predictive models of argan seed moisture, ratio U/S and OSI showed good accuracy. Therefore, Vis/NIR measurements can be used for controlling several argan seed quality parameters. This procedure might be of interest to the argan oil industry, which is currently in the process of modernization and expansion.     

近红外光谱技术的定性和定量分析

近红外光谱(NIR)分析技术具有简便、快捷、低成本、无污染以及不破坏样品等优点,是近年来发展最为迅速的实用分析技术之一.从近红外光谱的原理、特点以及定性分析和定量分析应用方面进行了论述,阐述光谱解析在近红外光谱定性和定量研究中的重要作用.     

Epoxy curing reaction studied by using two‐dimensional correlation infrared and near‐infrared spectroscopy

The isothermal curing process of bisphenol A epoxy resin with polyamine reagent (1,6‐diaminohexane) was monitored in situ by using temperature‐controlled Fourier‐transform infrared (FTIR) and Fourier‐transform near infrared (FTNIR) spectroscopy to elucidate the relative changes in functional groups during the curing reaction. It was shown that generalized two‐dimensional correlation spectroscopy can provide new information about the mechanisms and kinetics of the curing process, and the band assignments for complex NIR spectrum associated with this system. The sequential order of relative changes in functional groups during the curing process was examined by generalized 2D correlation spectroscopy and NIR‐IR hetero‐correlation spectroscopy, and the details of the complex epoxy curing reaction involving both primary and secondary amino group were revealed. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011     

近红外光谱法测定银杏叶提取液中总黄酮含量

应用近红外光谱技术建立了快速测定银杏叶提取液中总黄酮含量的方法.将高效液相色谱法测定的总黄酮含量作为参考标准值用于建模,考察预测残差平方和(Predictive residual error sum of square,PRESS)与主成分之间的关系,主成分数为2时得到PRESS最小;用偏最小二乘法(PLS)进行回归分析得到的回归系数为0.98206、交叉验证结果的回归系数为0.96322,表明预测模型具有良好的稳定性.高效液相色谱法测定的银杏叶提取液中总黄酮含量与本方法的预测值之间存在良好的线性关系,t-检验结果表明,两种方法测得的总黄酮含量无显著性差异.本方法快速、简便,能准确地预测银杏叶提取液中总黄酮的含量.     

近红外光谱技术在中药栀子渗漉液理化指标快速分析中的应用研究

用声光可调滤光器(AOTF)-近红外(NIR)光谱法在线分析栀子渗漉液密度及栀子苷含量。在线收集栀子渗漉液样品,建立栀子渗漉液的含量、比重数据库,同时采集近红外光谱图谱,用偏最小二乘(PLS1)法分别建立NIR光谱与含量、比重数据之间的校正模型,并对在线过程中收集的预测集样品进行含量预测来验证所建模型。结果表明,渗漉液NIR光谱与含量、比重数据之间的校正模型相关系数R2分别为0.956 0和0.978 2,外部样品预测平均相对偏差分别为0.09%,2.84%;该方法精密度RSD分别为0.06%,2.96%;稳定性RSD分别为0.63%,1.89%;预测回收率分别为100.0%,99.9%。近红外光谱技术在栀子渗漉液密度及淫羊藿苷含量分析中具有快速、直接、多成分同时测定,并能实现现场分析。     

Use of Visible and Near Infrared Spectroscopy to Predict Klason Lignin Content of Bamboo,Chinese Fir,Paulownia, and Poplar

Abstract

The use of calibrated visible and near infrared (NIR) (400–2500 nm) spectroscopy to predict the klason lignin content of Moso bamboo (Phyllostachys pubescens), Chinese fir (Cunninghamia lanceolata (Lamb.) Hook.), Paulownia (Paulownia elongata), and Poplar (Populus nigra var.) samples was investigated. For bamboo, Chinese fir, and Paulownia, the lignin content predicted by means of chemical methods and that predicted by NIR are similar. The ratio of performance to deviation (RPD) of bamboo, Chinese fir, and Paulownia was 3.33, 2.53, and 1.77, respectively. However, for the poplar, the RPD was 1.07 only. The original models were constructed using a full spectrum ranging from 400 nm to 2500 nm. If the spectral range is reduced to the range of 400–1050 nm or 1100–2500 nm, a slight decrease in the quality of the models will occur. However, this decrease is minor considering the advantages of using a reduced spectral range. The results demonstrated that NIR could predict Klason Lignin Content of bamboo, Chinese fir, Paulownia, and Poplar.     

On‐line NIR sensing of CO2 concentration for polymer extrusion foaming processes

An on‐line sensor using near infrared (NIR) spectroscopy is developed for monitoring CO₂ concentration in polymeric extrusion foaming processes. NIR absorption spectra are acquired by a probe installed at the foaming extruder die. The calibration curve relating the absorbance spectrum at 2019 nm to the dissolved gas concentration is derived so as to infer dissolved CO₂ gas concentration on‐line from measured NIR spectra. Experimental results show the developed on‐line NIR sensor can successfully estimate dissolved CO₂ concentration in the molten polymer and illustrate that the developed NIR sensing technique is among the more promising methods for quality control of polymeric extrusion foaming processes.