溶液近红外光谱分析中温度影响的修正  

Study on Temperature Correction of Near-Infrared Spectra of Solution

作　　者：陈韵[1] 史振志[1] 徐可欣[1] 陈文亮[1] 

机构地区：[1]天津大学精密测试技术及仪器国家重点实验室,天津300072

出　　处：《光谱学与光谱分析》2009年第11期2966-2969,共4页Spectroscopy and Spectral Analysis

基　　金：国家自然科学基金项目(30700168);国家"十一五"科技支撑计划项目(2006BAI03A03)资助

摘　　要：作为一种快速、无损的分析技术,近红外光谱分析在许多领域中被广泛应用,其中液体样品是其应用最为广泛的分析对象之一。由于水等常用溶剂在近红外波段的温度敏感性极高,因而不能忽视温度对溶液的近红外光谱测量带来的影响。文章以朗伯-比尔定律为基础,在理论上推导出了温度变化对溶液透射光谱的影响,并提出利用纯溶剂在不同温度下的吸光度变化量作为温度校正量,对样品光谱进行修正。文章还在不同温度下,对葡萄糖水溶液和白蛋白水溶液进行了光谱测量,建立了30℃下的校正模型,并以纯水的吸光度变化量为温度校正量,将不同温度下的预测样品光谱修正至对应于30℃的光谱。实验结果表明,对光谱进行温度修正后,有效消除了温度对光谱的影响,葡萄糖和白蛋白的浓度预测误差得到了明显的降低。The near-infrared spectrum of some common solvents,such as water,has very high sensitivity to temperature. So,the effect of temperature can not be ignored in NIRS. When temperature changes,the transmission spectra of the solution will also change. The influence of the temperature was deduced theoretically based on the Lambert-Beer＇s law in the present paper. And a method for temperature correction of sample＇s spectra was proposed. By using the change in pure solvent＇s absorbency with temperature disturbance,the method is used to correct the spectra of prediction samples. The spectra of glucose aqueous solution and albumin aqueous solution were measured at different temperatures. The calibration models of glucose and albumin concentration prediction were built respectively by using the calibration sample＇s spectra at 30 ℃. The absorbency of pure water has different value at different temperature,and this difference was used to correct the spectra of sample which was measured at temperatures other than 30 ℃. The experiment results showed that the curves of absorbancy difference of prediction samples,which were measured at different temperatures,show good superposition after spectra correction. And the root mean square error （RMSEP） of prediction was reduced obviously. It also means that the influence of temperature on the spectra can be eliminated effectively after spectra correction by using the method proposed in this paper.

关 键 词：近红外光谱 温度 光谱修正 

分 类 号：O433[机械工程—光学工程]