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Determination of transesterification reaction endpoint using NIR spectroscopy

机译:近红外光谱法测定酯交换反应终点

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Abstract: An analytical method based on fiber optic near infrared spectroscopy (NIR) and partial least squares data analysis (PLS) was developed to monitor a reaction in which a methyl ester is transesterified with polyethylene glycol 300 (PEG 300) to give the corresponding PEG 300 ester and methanol. A series of multivariant modeling techniques which predict the transesterification reaction end point by monitoring the PEG 300 content were evaluated. The models were developed by making a series of transesterification reactions, collecting grab samples, analyzing them by using the NIR spectrophotometer and liquid chromatography (HPLC) to construct a training and validation set consisting of 50 data points. The models were evaluated in the laboratory setting and the PLS model was used in a pilot plant to predict the reaction end point. Use of the NIR modeling system in the pilot plant led to reduced reaction times and a concomitant rise in product quality. A purged NEMA enclosure was manufactured and was used to house the NIR instrumentation in the pilot plant setting.!1
机译:摘要:建立了一种基于光纤近红外光谱(NIR)和偏最小二乘数据分析(PLS)的分析方法,以监测甲基酯与聚乙二醇300(PEG 300)酯交换生成相应PEG的反应300酯和甲醇。评估了通过监测PEG 300含量预测酯交换反应终点的一系列多变量建模技术。通过进行一系列酯交换反应,收集抓取样品,使用NIR分光光度计和液相色谱(HPLC)分析它们来构建模型,以建立包含50个数据点的训练和验证集。在实验室环境中对模型进行了评估,PLS模型在中试工厂中用于预测反应终点。在中试工厂中使用NIR建模系统可缩短反应时间并随之提高产品质量。已制造出吹扫过的NEMA外壳,并用于在试点工厂环境中容纳NIR仪器。!1

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