{"title":"Determination of the calorific value and ash content of coal using the analysis of primary X-ray radiation scattering spectra","authors":"Ivan Sverchkov","doi":"10.1016/j.sab.2025.107221","DOIUrl":null,"url":null,"abstract":"<div><div>The study presents a new approach to the determination of the main fuel characteristics of coals, such as calorific value and ash content, using wavelength dispersive X-ray fluorescence analysis (WDXRF) in combination with partial least squares (PLS) regression. The Compton and Rayleigh scattering spectra of the primary radiation of the X-ray tube served as the basis for the quantitative assessment of these indicators.</div><div>The effect that spectral resolution has on the quality of the prediction was also assessed in the study. It was found that increasing the spectral resolution increases the accuracy of predicting the calorific value and ash content of coals. The use of a LiF (220) crystal analyzer in combination with a high-resolution collimator provided a root-mean-square error of 0.52 MJ/kg for an average calorific value of 29.06 MJ/kg, and 1.70 wt% for an average ash content of 9.20 wt% in validating the training set data. Although the current results of coal quality analysis obtained on the basis of primary X-ray scattering spectra cannot replace the already accepted methods, the presented approach can provide useful information for rapid assessment of coal quality and can be used in automated systems for quality control of incoming fuel.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"230 ","pages":"Article 107221"},"PeriodicalIF":3.8000,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part B: Atomic Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0584854725001065","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
引用次数: 0
Abstract
The study presents a new approach to the determination of the main fuel characteristics of coals, such as calorific value and ash content, using wavelength dispersive X-ray fluorescence analysis (WDXRF) in combination with partial least squares (PLS) regression. The Compton and Rayleigh scattering spectra of the primary radiation of the X-ray tube served as the basis for the quantitative assessment of these indicators.
The effect that spectral resolution has on the quality of the prediction was also assessed in the study. It was found that increasing the spectral resolution increases the accuracy of predicting the calorific value and ash content of coals. The use of a LiF (220) crystal analyzer in combination with a high-resolution collimator provided a root-mean-square error of 0.52 MJ/kg for an average calorific value of 29.06 MJ/kg, and 1.70 wt% for an average ash content of 9.20 wt% in validating the training set data. Although the current results of coal quality analysis obtained on the basis of primary X-ray scattering spectra cannot replace the already accepted methods, the presented approach can provide useful information for rapid assessment of coal quality and can be used in automated systems for quality control of incoming fuel.
期刊介绍:
Spectrochimica Acta Part B: Atomic Spectroscopy, is intended for the rapid publication of both original work and reviews in the following fields:
Atomic Emission (AES), Atomic Absorption (AAS) and Atomic Fluorescence (AFS) spectroscopy;
Mass Spectrometry (MS) for inorganic analysis covering Spark Source (SS-MS), Inductively Coupled Plasma (ICP-MS), Glow Discharge (GD-MS), and Secondary Ion Mass Spectrometry (SIMS).
Laser induced atomic spectroscopy for inorganic analysis, including non-linear optical laser spectroscopy, covering Laser Enhanced Ionization (LEI), Laser Induced Fluorescence (LIF), Resonance Ionization Spectroscopy (RIS) and Resonance Ionization Mass Spectrometry (RIMS); Laser Induced Breakdown Spectroscopy (LIBS); Cavity Ringdown Spectroscopy (CRDS), Laser Ablation Inductively Coupled Plasma Atomic Emission Spectroscopy (LA-ICP-AES) and Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS).
X-ray spectrometry, X-ray Optics and Microanalysis, including X-ray fluorescence spectrometry (XRF) and related techniques, in particular Total-reflection X-ray Fluorescence Spectrometry (TXRF), and Synchrotron Radiation-excited Total reflection XRF (SR-TXRF).
Manuscripts dealing with (i) fundamentals, (ii) methodology development, (iii)instrumentation, and (iv) applications, can be submitted for publication.