Study on Temperature Correctional Models of Quantitative Analysis with Near Infrared Spectroscopy
ZHANG Jun1, CHEN Hua-cai1, 2, CHEN Xing-dan1
1. State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130022, China 2. China Institute of Metrology, Hangzhou 310018, China
Abstract:Effect of enviroment temperature on near infrared spectroscopic quantitative analysis was studied. The temperature correction model was calibrated with 45 wheat samples at different environment temperaturs and with the temperature as an external variable. The constant temperature model was calibated with 45 wheat samples at the same temperature. The predicted results of two models for the protein contents of wheat samples at different temperatures were compared. The results showed that the mean standard error of prediction (SEP) of the temperature correction model was 0.333, but the SEP of constant temperature (22 ℃) model increased as the temperature difference enlarged, and the SEP is up to 0.602 when using this model at 4 ℃. It was suggested that the temperature correctiona model improves the analysis precision.
[1] Fornés V, Chaussidon J. J. Chem. Phys., 1978, 68: 4667. [2] Delwiche S R, Norris K H, Pitt R E. Appl. Spectr., 1992, 46: 782. [3] Hazen Kevin H, Arnold Mark A, Small Gary W. Appl. Spectr., 1994, 48: 477. [4] Hideyuki Abe, Toyoko Kusama, Sumio Kawano, Mutsuo Iwamoto. Japanese Spectrum Research(分光研究), 1995, 44(5): 247. [5] Noda L, Liu Y, Ozaki Y, Czarnecki M A. J. Phys. Chem., 1995, 99: 3068. [6] Florian Wulfert, Wim Th Kok, Age K Smilde. Anal. Chem., 1998, 70: 1761. [7] BAI Sheng-yuan, GU Pei-fu, LIU Xu, TANG Jin-fa(白胜元,顾培夫,刘 旭,唐晋发). Acta Photonica Sinica(光子学报), 2001, 30(5): 576. [8] ZHU Er-yi, YANG Peng-yuan(朱尔一,杨芃原). Application and Technique of Chemertric(化学计量学技术及应用). Beijing: Science Press(北京: 科学出版社), 2001. 186. [9] ZHENG Yong-mei, ZHANG Jun, LI Rong-fu, et al(郑咏梅,张 军,李荣福,等). Laser and Infrared(激光与红外), 2003, 33(2): 125. [10] ZHENG Yong-mei, ZHANG Jun, CHEN Xing-dan, SHEN Xuan-guo, ZHANG Tie-qiang(郑咏梅,张 军,陈星旦,申铉国,张铁强). Spectroscopy and Spectral Analysis(光谱学与光谱分析). 2004,24(6):675. [11] LI Ning, MIN Shun-geng, QIN Fang-li, ZHANG Ming-xiang, YE Sheng-feng(李 宁,闵顺耕,覃方丽,张明祥,叶升锋). Spectroscopy and Spectral Analysis(光谱学与光谱分析),2004,24(1):45. [12] WANG Duo-jia, ZHOU Xiang-yang, JIN Tong-ming, HU Xiang-na, ZHONG Jiao-e, et al(王多加,周向阳,金同铭,胡祥娜,钟娇娥, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析),2004,24(4):447.