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Near infrared spectroscopy for rapid determination of solids content of amino resins

机译:近红外光谱法,快速测定氨基树脂的固体含量

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Near infrared (NIR) spectroscopy is a fast and reliable technique for assessing properties of amino resins. One important property that defines the cost and performance of these resins is the solids content (SC). This work studied the prediction of SC of amino resins by combining NIR spectroscopy with partial least squares (PLS) regression. A total of 990 industrial NIR spectra of amino resins were obtained and split randomly by a ratio of 2/3 for calibration and 1/3 for validation. The best model achieved a root mean-square error of prediction (RMSEP) of 0.32% (m/m) and a coefficient of determination of prediction (R-p(2)) of 81%. standard normal variate (SNV) was found to be the NIR pre-processing that provided the best results for model construction. Addition of water to two amino resins showed that the NIR model does not respond to the water addition, despite water making great contribution to the SC value. An inference that can be obtained from this is that the NIR model of amino resins uses NIR properties of amino resins that relate to the SC and from there predict the most probable SC, instead of looking at all the components that affect the SC of amino resins.
机译:近红外(NIR)光谱是一种快速可靠的技术,用于评估氨基树脂的性质。定义这些树脂成本和性能的一个重要属性是固体含量(SC)。该工作通过将NIR光谱与偏最小二乘(PLS)回归组合来研究氨基树脂SC的预测。获得了总共990个工业NIR光谱的氨基树脂,并随机分割为校准的2/3的比例和1/3进行验证。最佳模型实现了0.32%(m / m)的预测(Rmsep)的根均方误差,并且预测的测定系数(R-P(2))为81%。发现标准正常变化(SNV)是NIR预处理,为模型结构提供了最佳结果。尽管水对SC值产生了极大贡献,但是氨基树脂向两个氨基树脂添加到两种氨基树脂表明,尽管水对SC值产生了极大的贡献,但NIR模型不会响应水。可以从此获得的推断是氨基树脂的NIR模型使用氨基树脂的NIR性质,所述氨基树脂与SC涉及SC和预测最可能的SC,而不是看影响氨基树脂SC的所有组分。

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