用多位置多光程漫透射光谱法分析复杂溶液的Monte Carlo仿真研究  

Monte Carlo Simulation Study of Measurement of Complex Solution by Multi-position and Multi-optical Path Diffuse Transmission Spectroscopy

作　　者：李威[1] 张强武[2] 

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]广东工业大学信息工程学院,广州510006

出　　处：《红外》2013年第10期37-43,共7页Infrared

摘　　要：为了进一步提高复杂溶液成分的分析能力和提取更多吸收组分和散射组分的光谱信息,采用多位置多光程漫透射光谱方法对复杂溶液的成分进行了定量分析。实验构建了成分含量不同的100种混合溶液,并采用蒙特卡洛(Monte-Carlo,MC)方法仿真了650 nm^1000 nm波段的近红外光通过复杂溶液的多位置多光程的透射光谱分布数据。利用偏最小二乘回归的建模方法分别建立了同一光程中心点光谱数据、同一光程多位置光谱数据和多位置多光程光谱数据与复杂溶液中脂肪乳溶液成分含量的模型。通过比较得出,增加径向不同位置的光谱数据和多个光程长的光谱数据,可以提高复杂溶液中物质成分的建模精度和预测能力。To further improve the ability of analyzing complex solution composition and extract more spectral information about absorption and scattering component, a multi-position and multi-optical path diffuse transmission spectroscopy is used to analyze complex solution composition quantitatively. 100 kinds of fixed solution containing different composition are formed in an experiment. The multi-position and multi-optical path transmission spectral distribution data of the near infrared light in the waveband from 650 nm to 1000 nm passing through the complex solution are simulated by using the Monte-Carlo （MC） method. A partial least square regression modeling method is used to model the spectral data at the central point in one optical path, the spectral data in multi-positions in one optical path and the spectral data in multi-positions and multi-optical paths with intralipid solution ingredients in the complex solution respectively. It is derived by comparison that the modeling accuracy and prediction of the composition in complex solution can be improved by increasing the spectral data in different radial positions and the spectral data in multi-optical paths.

关 键 词：近红外光谱 多位置多光程 定量成分分析 蒙特卡洛仿真 偏最小二乘 

分 类 号：O657.33[理学—分析化学]