| 近红外光谱定量检测丙烷和异丁烷 |
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| 引用本文： | 杜振辉,齐汝宾,张慧敏,尹新,徐可欣.近红外光谱定量检测丙烷和异丁烷[J].天津大学学报(自然科学与工程技术版),2008,41(5):589-592. |
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| 作者姓名： | 杜振辉 齐汝宾 张慧敏 尹新 徐可欣 |
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| 作者单位： | 天津大学精密测试技术及仪器国家重点实验室,天津300072 |
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| 基金项目： | 国家高技术研究发展计划(863计划)
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天津市自然科学基金 |
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| 摘 要： | 近红外光谱分析技术结合偏最小二乘法（PLS）对多成分挥发性有机物（VOCs）进行连续的在线监测具有重要意义．用傅里叶变换红外光谱仪（FTIR）分析了丙烷和异丁烷2种挥发性有机物的近红外光谱特征．采用线性回归建模方法——偏最小二乘法在丙烷和异丁烷混合气体的近红外光谱范围（5600～6200cm^-1）内建立了预测模型．基于该模型预测了验证集样品中2种气体的含量，并对模型进行了评价．结果表明，对2种气体浓度的预测比较准确，相对误差基本在5％以内．
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| 关 键 词： | 近红外光谱 偏最小二乘法 数据建模 定量分析 |
Quantitative Detection of Propane and Isobutene Based on NIR Spectroscopy |
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| DU Zhen-hui,QI Ru-bin,ZHANG Hui-min,YIN Xin,XU Ke-xin.Quantitative Detection of Propane and Isobutene Based on NIR Spectroscopy[J].Journal of Tianjin University(Science and Technology),2008,41(5):589-592. |
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| Authors: | DU Zhen-hui QI Ru-bin ZHANG Hui-min YIN Xin XU Ke-xin |
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| Institution: | ( State Key Laboratory of Precision Measuring Technology and Instruments, Tianjin University, Tianjin 300072, China ) |
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| Abstract: | Continuous and on-line monitoring volatile organic compounds （VOCs） based on NIR spectroscopy combined with partial least square （ PLS ）modeling has great significance. The characteristic spectra of two types of VOCs--propane and isobutene were analyzed using Fourier transnlitted infrared spectroscopy （ FFIR ）. A prediction model was established using linear regression modeling method--PLS in the NIR wavelength range of 5 600--6 200 cm^-1. The two gases＇ concentration in the validation set was predicted based on the model, and the model was evaluated. Results show that the prediction of the two gases＇ concentration is accurate, and the relative error is less than 5%. |
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| Keywords: | near infrared spectroscopy partial least square data modeling quantitative analysis |
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