Chemometrics in China

Yu, Ru‐Qin

doi:10.1002/cem.3094

Cited by 1 publication

(2 citation statements)

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“…In recent years, new instruments that allow the high-throughput detection of large numbers of samples and also provide multivariate data and more comprehensive chemical information, among others, have led to more powerful analytical methods for the knowledge of coal structure [15]. However, finding the required data from multiple mass spectra is difficult for traditional GC/MS data processing.…”

Section: Introductionmentioning

confidence: 99%

“…Zhang et al [17] performed a graded extraction of six medium-and low-order coal samples, analyzed the extracts by GC/MS and Electron Spray Ionization-Time of Flight Mass Spectrometer, and performed a systematic cluster analysis of the extract data based on statistical methods in R language to explore the composition and distribution characteristics of molecules in coal soluble matter. Yu [15] selected eight coal samples for graded thermal solubilization, characterized the soluble organic fractions by GC/MS and Orbitrap MS, and then used chemometric methods to find the molecular composition and structural information of the organic matter from the analytical results. Zhang et al [18] performed a graded extraction of four low-rank coals.…”

Section: Introductionmentioning

confidence: 99%

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Cluster Analysis of Soluble Organic Fractions in Two Low-Rank Coals

Wang

2022

Applied Sciences

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A brief overview of the composition and structure of soluble organic compounds as well as organic macromolecules in coal is sufficient to support the development of the coal chemical industry and realize the clean, effective, and high value-added exploitation of coal. In this study, 14 groups of extracts were analyzed by a gas chromatograph-mass spectrometer; seven stages of solvent-graded extraction were carried out on two typical low-rank coals, and the extracted substance spectrum data were processed by principal component analysis and cluster analysis to investigate the molecular makeup and structure of the soluble organic compounds in the two coals. CS2 had a better extraction effect on aromatic hydrocarbons, and methanol was better for the enrichment and separation of oxygenated compounds. Hexane and petroleum ethers have a good extraction effect for aliphatic hydrocarbons; benzene has a good effect for the extraction of nitrogenous compounds; acetone has a greater extraction rate for alcohols; tetrahydrofuran has a more obvious extraction effect for ketones; the mixed solvent of tetrahydrofuran and methanol has a greater extraction rate for esters.

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Section: Introductionmentioning

confidence: 99%