The KBr pellet press
method for detecting the infrared spectrum
of coal is one of the commonly used methods for analyzing the types
and content of functional groups in coal. However, KBr crystalline
water or moisture has a significant impact on the peak position, peak
shape, and peak area of the organic O–H based stretching vibration
wave in coal. In this paper, the theoretical characteristics of infrared
spectra of phenols and alcohols have been simulated and analyzed using
the Gaussian 16 series of programs. Four infrared spectral analysis
techniques, in situ infrared, KBr pellet press, dry KBr pellet press,
and paste methods, have been used to detect the infrared spectra of
coal. The results show that the stretching vibration peaks of free
O–H radicals without hydrogen bonding are located between 3700
and 3600 cm–1. After the O–H form hydrogen
bonds with each other, the O–H stretching vibration frequency
moves toward the low frequency direction, and the lower the wavenumber,
the more O–H content. The conventional KBr gasket manufacturing
process will absorb moisture in the air to interfere with the hydroxyl
absorption peak of coal, and the experimental process requires absolute
drying. The relative content of hydroxyl in coal can be compared and
analyzed based on the peak position, peak shape, and peak area of
the hydroxyl stretching vibration wave. Quantitative analysis of hydroxyl
groups in coal also requires combination of elemental analysis and
X-ray photoelectron spectroscopy.