摘要
针对没食子酸的甲酯化反应,提出在线拉曼光谱实时监测反应进程的方法。通过定性分析反应物没食子酸和产物没食子酸甲酯拉曼特征峰高随时间变化的特点,将其用于表征反应进程;通过比较偏最小二乘(PLS)回归和线性回归算法,建立没食子酸质量浓度的定量分析模型,以预测反应过程中没食子酸质量浓度。发现特征峰高的变化趋势可用于反映反应进程;与PLS模型相比,使用没食子酸对照品溶液的拉曼光谱建立线性回归模型可更好地预测没食子酸质量浓度。结果表明,将该方法用于表征没食子酸甲酯化反应过程具有一定可行性,为生产过程实时监控提供研究基础。
An on-line Raman spectroscopy method for real-time monitoring of the methyl esterification of gallic acid was proposed.The reaction process was monitored by the variation of Raman characteristic peak heights of the reactant(gallic acid)and the product(methyl gallate)with time.By comparing partial least squares(PLS)regression and linear regression,a quantitative analysis model of gallic acid concentration was established to predict the gallic acid concentration in the reaction process.It was found that the variation of characteristic peak height could be used to reflect the reaction process.Compared with PLS model,the linear regression model using Raman spectrum of gallic acid reference solution could better predict the concentration of gallic acid.The results showed that this method is feasible to characterize the process of gallic acid methyl esterification,and provides a reference for real-time monitoring of the production process.
作者
陈思铭
谢佳丽
阎续
瞿海斌
CHEN Siming;XIE Jiai;YAN Xu;QU Haibin(Pharmaceutical Informatics Institute,Zhejiang University,Hangzhou 310058,China;Hisun Biopharmaceutical Co.Ltd.,Hangzhou 311404,China)
出处
《高校化学工程学报》
EI
CAS
CSCD
北大核心
2023年第3期492-497,共6页
Journal of Chemical Engineering of Chinese Universities
关键词
拉曼光谱
没食子酸
没食子酸甲酯
线性回归
过程监控
Raman spectroscopy
gallic acid
methyl gallate
linear regression
process monitoring
