乙醇水溶液体积分数和温度的
近红外激光拉曼光谱研究

邹小波; 沈乐丞; 石吉勇

doi:10.3969/j.issn.1671-7775.2015.02.009

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江苏大学学报（自然科学版） ›› 2015, Vol. 36 ›› Issue (2) : 171-175. DOI: 10.3969/j.issn.1671-7775.2015.02.009

论文

乙醇水溶液体积分数和温度的
近红外激光拉曼光谱研究

作者信息 +

Nearinfrared laser Raman spectra of ethanolwater
solution for different volume concentration and temperature

Author information +

文章历史 +

摘要

为了研究乙醇水溶液近红外激光拉曼光谱随体积分数和温度的变化,首先通过便携式近红外激光拉曼光谱仪测得0～100％乙醇水溶液在10～30 ℃的拉曼光谱,然后将温度和拉曼光谱值一起用于建立体积分数预测模型, 以提高其预测精度．结果表明:带有温度值的PLS模型相关系数(Rc) 为0.997 6,校正均方根误差(RMSEC) 为 1.94,预测模型相关系数(Rp)均达到0.995 0以上,建立的乙醇水溶液联合模型性能较稳定,能够满足不同温度下乙醇水溶液体积分数的测定,满足实际在线检测的需要．进一步研究温度与乙醇水溶液的近红外拉曼光谱的关系 ,在体积分数0～100％每隔10％建立一个近红外拉曼光谱的温度PLS模型,得到11个模型的相关系数,R值在0.734 4和0.954 7之间,并且随着乙醇体积分数变大,R值越来越大．

Abstract

The variations of nearinfrared laser Raman spectra of ethanolwater solution for different volume concentration and temperature were investigated.The Raman spectra of ethanol water solution with volume concentrations from 0 to 100% were acquired at temperature range from 10 to 30 ℃ using a portable nearinfrared laser Raman spectrometer. The volume concentration predictive model was established with temperature and Raman spectrum values together to improve prediction accuracy. The results show that the correlation coefficient (Rc) of PLS model with temperature values is 0.997 6, and the root mean square error correction (RMSEC) is 1.94 with correlation coefficients of prediction models (Rp) more than 0.995 0. The overall forecast results are enough good and stable to meet the volume concentration determination of ethanol water solution at different temperatures, and the model has high applicable scope to meet actual detection requirements. The influences of temperature on ethanolwater solution were further clarified to establish the relationship between nearinfrared Raman spectroscopy and temperature. 11 PLS models of temperature were established at volume concentration interval of 10% from 0 to 100%. The results show that the correlation coefficient (R) are among 0.734 4 and 0.954 7. R values are increased with the increasing of volume concentration.

导出引用

邹小波, 沈乐丞, 石吉勇. 乙醇水溶液体积分数和温度的
近红外激光拉曼光谱研究[J]. 江苏大学学报（自然科学版）, 2015, 36(2): 171-175 https://doi.org/10.3969/j.issn.1671-7775.2015.02.009

ZOU Xiao-Bo, SHEN Le-Cheng, SHI Ji-Yong. Nearinfrared laser Raman spectra of ethanolwater
solution for different volume concentration and temperature[J]. Journal of Jiangsu University(Natural Science Edition), 2015, 36(2): 171-175 https://doi.org/10.3969/j.issn.1671-7775.2015.02.009

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