articleACS OmegaMay 3, 2023GOLD OA

Infrared Spectrum Characteristics and Quantification of OH Groups in Coal

FDFengwei DaiQZQiuying ZhuangGHGe HuangHDHanzhong DengXZXun Zhang

Liaoning Technical University

PubMed
Indexed incrossrefdoajpubmed

Abstract

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…

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Topics & keywords

Topics
Keywords
  • Coal
  • Spectrum (functional analysis)
  • Infrared
  • Environmental science
  • Chemistry
  • Remote sensing
  • Materials science
  • Geology
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