复杂液体光谱法分析的浓度分辨率及浓度分布影响  

The Concentration Resolution of Complex Liquid Spectrometry Analysis and the Effect of Concentration Distribution

作　　者：李刚[1,3] 赵喆[1,3] 王慧泉[1,3] 林凌[1] 张宝菊[2] 吴晓荣 

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 [2]天津师范大学,物理与电子信息学院,天津300387 [3]天津大学,天津市生物医学检测技术与仪器重点实验室,天津300072

出　　处：《光谱学与光谱分析》2012年第4期1077-1080,共4页Spectroscopy and Spectral Analysis

基　　金：国家自然科学基金项目(30973964);天津市应用基础及前沿技术研究计划项目(11JCZDJC17100)资助

摘　　要：为保证基于光谱技术的复杂溶液检测的可行性,分析多波长建模对浓度分析的精度增益,以及确定合适的组分浓度分布以得到质量高、普适性佳的定量分析模型,从光谱检测仪器噪声、光谱数据多波长建模和被测溶液成分浓度分布影响因素入手,对复杂溶液成分浓度检测精度的影响进行分析。通过对浓度分辨率分析,对已知光谱仪噪声条件下能够实现的溶液成分浓度分辨率进行评估,也为在已知定量分析所需浓度分辨率条件下选择满足测量要求的光谱仪器提供理论依据。基于过采样提高测量精度技术分析,表明多波长建模带来了精度增益,从而提高浓度检测灵敏度。考虑被测成分含量以及非测量成分的含量在所测范围内疏密比和加权欧氏距离,为选择满足浓度分布的有利于提高模型质量、减小预测误差的样本集进行建模提供理论指导。In order to ensure the feasibility of complex liquid spectroscopy analysis, to analyze the accuracy gain of modeling by multi-wavelength, and to determine the appropriate distribution of concentration to obtain the high quality and universal quantitative analysis model, the precision of the detection of composition concentration by spectral analysis is illustrated through a error analysis which takes into account the following three contributions： spectral instrument noise, multi-wavelength modeling and the distribution of composition concentration. By concentration resolution analysis, the concentration resolution can be achieved when the spectrometer noise is available, but also the theoretical basis is provided to select a suitable spectrometer to meet the resolution requirement of quantitative analysis. Over-sampling technique indicates that the precision improvement by modeling with multi-wavelength can obtain higher concentration detection sensitivity. The sparse-dense-ratio and Euclidean distance of both measured and non-measured components provide the theoretic guidance for choosing the suitable concentration distribution which improves the model＇s quality and reduces the prediction error of the sample set.

关 键 词：浓度分辨率 浓度分布 光谱分析 复杂溶液 

分 类 号：O657.3[理学—分析化学]