Multivariate calibration of diffuse reflectance infrared spectra of coals as an alternative to rank determination by vitrinite reflectance

摘要: Abstract Christy, A.A., Velapoldi, R.A., Karstang, T.V., Kvalheim, O.M., Sletten, E. and Telnaes, N., 1987. Multivariate calibration of diffuse reflectance infrared spectra coals as an alternative to rank determination by vitrinite reflectance. Chemometrics Intelligent Laboratory Systems , 2:199-207. Sixty-four randomly selected, vitrinite-rich coal samples were subjected petrological, spectrometric multivariate data analysis. Diffuse Fourier transform in a Kubelka-Munk format reduced maximum entropy reduction method calibrated against using partial least squares regression. Two models calculated. One model was calculated for with from 0.38 1.08, i.e., including most the maturity range defined “oil window”. Outliers or non-population members identified iterative process, leaving total 41 samples. The cross-validated gave absolute prediction error ± 0.09, value same order magnitude average standard deviation measurements (1 s = 0.06). second eighteen 1.32 3.54. An ±0.15 obtained, reflecting higher uncertainty higher-ranking coals.