基于近红外光谱的水泥生料氧化物含量快速测定方法研究

引用本文: 杨振发, 肖航, 张雷, 张法业, 姜明顺, 隋青美, 贾磊. 基于近红外光谱的水泥生料氧化物含量快速测定方法研究[J]. 分析化学, 2020, 48(2): 275-281. doi: 10.19756/j.issn.0253-3820.191299 shu

Citation: YANG Zhen-Fa, XIAO Hang, ZHANG Lei, ZHANG Fa-Ye, JIANG Ming-Shun, SUI Qing-Mei, JIA Lei. Rapid Determination of Oxides Content in Cement Raw Meal Based on Near Infrared Spectroscopy[J]. Chinese Journal of Analytical Chemistry, 2020, 48(2): 275-281. doi: 10.19756/j.issn.0253-3820.191299 shu

基于近红外光谱的水泥生料氧化物含量快速测定方法研究

山东大学控制科学与工程学院, 济南 250061
基金项目:
本文系国家自然科学基金项目（Nos.61873333，61803179）、山东省重点研发项目（No.2017CXGC0610）和山东大学青年学者项目（No.2016WLJH30）资助

摘要: 采用近红外光谱分析技术快速测定了水泥生料中4种氧化物含量。以漫反射方式采集不同水泥生料样品的近红外光谱，采用X射线荧光光谱法测定氧化物含量作为参考值，根据马氏距离去除异常样品，然后利用SPXY（Sample set partitioning based on joint X-Y distance）法将样本集划分为校正集和验证集，应用向后间隔偏最小二乘和遗传算法选择最优波数变量，采用偏最小二乘算法建立了4种氧化物的定量校正模型，显示出了良好的预测效果，CaO、SiO₂、Al₂O₃和Fe₂O₃模型的验证集相关系数分别为0.9411、0.9337、0.8612和0.7351，预测均方根误差分别为0.0994、0.1044、0.0693和0.0387，平均绝对误差分别为0.075%、0.083%、0.051%和0.025%。与瞬发γ射线中子活化分析、激光诱导击穿光谱分析法对比，近红外光谱分析耗时短、精度最高：单次测量时间仅需3 min，测定CaO、SiO₂、Al₂O₃和Fe₂O₃的平均绝对误差均比瞬发γ射线中子活化分析法小一个数量级，分别比激光诱导击穿光谱分析减小了0.335%、0.137%、0.069%和0.025%。结果表明，近红外光谱分析技术可快速准确地测定水泥生料中4种氧化物的含量，为水泥生料的质量监测提供了新思路。

关键词:

English

Rapid Determination of Oxides Content in Cement Raw Meal Based on Near Infrared Spectroscopy

College of Control Science and Engineering, Shandong University, Jinan 250061, China
Received Date: 22 May 2019
Revised Date: 03 December 2019
Fund Project:
This work was supported by the National Natural Science Foundation of China (Nos.61873333, 61803179), the Key Research and Development Program of Shandong Province (No. 2017CXGC0610) and the Youth Scholar Program of Shandong University (No. 2016WLJH30).

Abstract: The contents of four oxides in cement raw meal were determined by near infrared spectroscopy. In this method, the near infrared spectrum was collected by diffuse reflectance method, and X-ray fluorescence spectroscopy analysis was used to determine the reference values of oxides content. The outliers were eliminated according to the Mahalanobis distance, and then the samples were divided into calibration subset and validation subset by sample set partitioning based on joint X-Y distance (SPXY) method. The optimal wavelength variables were selected by backward interval partial least squares and genetic algorithm. Quantitative calibration models of four oxides were established by partial least squares algorithm, which showed good prediction performance. The correlation coefficients of validation subsets of CaO, SiO₂, Al₂O₃ and Fe₂O₃ models were 0.9411, 0.9337, 0.8612 and 0.7351, the root mean square error of prediction were 0.0994, 0.1044, 0.0693 and 0.0387, the average absolute errors were 0.075%, 0.083%, 0.051% and 0.025%, respectively. By comparing with prompt gamma-ray neutron activation analysis and laser-induced breakdown spectroscopy analysis, the near infrared spectroscopy analysis has short time-consuming, highest accuracy, and best effect. It is suitable for rapid and accurate determination of contents of four oxides in cement raw meal, and provides a new idea for quality monitoring of cement raw meal.

Key words:

1. [1]
  Kural A, Özsoy C. Int. J. Adaptive Control Signal Process.,2004,18(5):427-442
2. [2]
  Tsamatsoulis D. Can. J. Chem. Engineer.,2014,92(11):1882-1894
3. [3]
  Stutzman P, Heckert A. Adv. Civil Engineer. Mater.,2014,3(1):434-453
4. [4]
  GB/T 176-2017, Methods for Chemical Analysis of Cement. National Standards of the People's Republic of China水泥化学分析方法.中华人民共和国国家标准. GB/T 176-2017
5. [5]
  Zhang X, Cheng D, Gu D, Liu L, Wang M. 2009 4th International Conference on Computer Science & Education,2009,464-468
6. [6]
  Fan J, Zhang L, Wang X, Li Y, Gong Y, Dong L, Ma W, Yin W, Wang Z, Li Z. Plasma Sci. Technol.,2015,17(11):897-903
7. [7]
  LI Yu-Fang, ZHANG Lei, GONG Yao, ZHAO Shu-Xia, ZHAO Yang,YIN Wang-Bao, MA Wei-Guang, DONG Lei, ZHANG Xiang-Jie, LI Yi. Spectroscopy and Spectral Analysis,2016,36(5):1494-1499 李郁芳, 张雷, 弓瑶, 赵书霞, 赵洋, 尹王保, 马维光, 董磊, 张向杰, 李逸.光谱学与光谱分析,2016,36(5):1494-1499
8. [8]
  Yang Y, Wang L, Wu Y, Liu X, Bi Y, Xiao W, Chen Y. Spectrochim. Acta A,2017,182:73-80
9. [9]
  ZHANG Wei-Dong, LI Ling-Qiao, HU Jin-Quan, FENG Yan-Chun, YIN Li-Hui, HU Chang-Qin, YANG Hui-Hua. Chinese J.Anal. Chem.,2018,46(9):1446-1454 张卫东, 李灵巧, 胡锦泉, 冯艳春, 尹利辉, 胡昌勤, 杨辉华.分析化学,2018,46(9):1446-1454
10. [10]
  Krepper G, Romeo F, de Sousa Fernandes D D, Diniz P H G D, de Araújo M C U, Di Nezio M S, Pistonesi M F, Centurión M E. Spectrochim. Acta A,2018,189:300-306
11. [11]
  WANG Fan, LI Yong-Yu, PENG Yan-Kun, SUN Hong-Wei, LI Long. Chinese J. Anal. Chem.,2018,46(9):1424-1431 王凡, 李永玉, 彭彦昆, 孙宏伟, 李龙.分析化学,2018,46(9):1424-1431
12. [12]
  Mir-Marqués A, Martínez-García M, Garrigues S, Cervera M L, de la Guardia M. Food Chem., 2016,196:1023-1030
13. [13]
  Al-Harrasi A, Rehman N U, Mabood F, Albroumi M, Ali L, Hussain J, Hussain H, Csuk R, Khan A L, Alam T. Spectrochim. Acta A,2017,184:277-285
14. [14]
  Costa M C A, Morgano M A, Ferreira M M C, Milani R F. LWT-Food Sci. Technol.,2017, 80:76-83
15. [15]
  Fernández-Espinosa A J. Talanta,2016,148:216-228
16. [16]
  Luypaert J, Massart D, Heyden Y V. Talanta,2007,72(3):865-883
17. [17]
  Costa M C A, Morgano M A, Ferreira M M C, Milani R F. Food Chem.,2019,273:85-90
18. [18]
  JIA Sheng-Yao, YANG Xiang-Long, LI Guang, ZHANG Jian-Ming. Spectroscopy and Spectral Analysis,2015,35(9):2516-2520 贾生尧, 杨祥龙, 李光, 张建明.光谱学与光谱分析, 2015,35(9):2516-2520
19. [19]
  Sampaio P S, Soares A, Castanho A, Almeida A S, Oliveira J, Brites C. Food Chem.,2018,242:196-204
20. [20]
  YAN Yan-Lu. Basic and Application of Near Infrared Spectroscopy Analysis. Beijing:China Light Industry Press,2005 严衍禄.近红外光谱分析基础与应用. 北京:中国轻工业出版社,2005
21. [21]
  Cozzolino D, Moró N A. J. Agric. Sci.,2003,140(1):65-71
22. [22]
  Huang C, Han L, Yang Z, Liu X. Fuel,2009,88(1):163-168
23. [23]
  Mark H. Anal. Chem.,1987,59(5):790-795
24. [24]
  Galvao R K H, Araujo M C U, Jose G E, Pontes M J C, Silva E C, Saldanha T C B. Talanta,2005,67(4):736-740
25. [25]
  LIU Shang-Hua, TAO Guang-Yi. Chinese Journal of Spectroscopy Laboratory,1998,15(6):9-15 刘尚华, 陶光仪.光谱实验室,1998,15(6):9-15
26. [26]
  Leardi R, Nørgaard L. J. Chemometrics,2004,18(11):486-497
27. [27]
  Leardi R, Seasholtz M B, Pell R J. Anal. Chim. Acta,2002,461(2):189-200
28. [28]
  GUO Rui, ZHANG Lei, FAN Juan-Juan, ZHANG Xiang-Jie, LI Yi. Spectroscopy and Spectral Analysis,2016,36(7):2249-2254 郭锐, 张雷, 樊娟娟, 张向杰, 李逸.光谱学与光谱分析,2016,36(7):2249-2254

扫一扫看文章

计量

PDF下载量: 0
文章访问数: 103
HTML全文浏览量: 3

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

基于近红外光谱的水泥生料氧化物含量快速测定方法研究

English

Rapid Determination of Oxides Content in Cement Raw Meal Based on Near Infrared Spectroscopy

计量

文章相关

通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处