在线红外结合PLS方法在线测量反应过程中的物质浓度

摘要

The solute concentration is one of the key factors in chemical process study.The difficulty in obtaining highly accurate concentration measurements is a significant limitation to the development of reliable techniques for the modeling,monitoring,and optimizing of chemical process.In this work,attenuated total reflection Fourier Transform Infrared Spectroscopy（ATR-FTIR）is coupled with partial least square（PLS）to provide a solute concentration calibration model,in which the IR absorbances constitute the prediction variables of PLS and the concentration is the prediction outputs.The a model is tested by a multicomponent system,the esterification of ethylparaban.Results show that the model can give reliable on-line solute concentration measurements with enough accuracy for online monitoring.%物质浓度是对化工过程进行研究和建模的关键因素,对物质浓度进行准确的在线测量是过程研究后续工作（在线监测、动态优化等）的基础之一。本文利用在线红外测量仪,采用部分最小二乘法建立红外吸收光谱和反应体系浓度的关系模型,通过对羟基苯甲酸乙酯反应过程实例验证,说明该模型有很好的预测效果,可用于浓度的在线测量。