偏最小二乘法结合傅里叶变换红外漫反射光谱快速测定煤质

发热量、挥发分和灰分等是衡量煤质的质量指标。通常,烟煤的发热量、挥发分和灰分是按行业标准方法1]分别进行测定的,操作过程繁琐,速度慢,且费用高。随着化学计量学多元校正方法的发展与广泛应用,董庆年采用最小二乘法结合红外光谱成功测定了灰分2];而应用偏最小二乘法3](P

Rapid Determination of Soft Coal Quality by Partial Least Squares and Fourier Transform Infrared Diffusion Reflectance Spectra

Calibration models were established for the determination of calorific value,volatile matter and ash content of soft coal by partial least squares(PLS) and Fourier transform infrared diffusion reflectance spectra.The correlation coefficients of the calibration models were 0.976 7,0.903 4 and 0.978 9,and the root mean square errors of cross validation(RMSECV) were 156.36,0.35 and 1.36 in the predicted range of 4 000-6 500 Cal/g,13%-16% and 18%-40% for calorific value,volatile matter and ash content,respectively.By statistical significance test,the results of determination were compared with those of standard methods with no significant difference at 0.05 level.The method has been applied to rapid determination of calorific value,volatile matter and ash content with satisfactory results.