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Molecular characteristics of the oxidation products of a lignite based on the big data obtained from Fourier transform ion cyclotron resonance mass spectrometry

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Abstract Shengli lignite, a low-rank coal, was pretreated and oxidized with aqueous H2O2 and NaClO, respectively, to obtain an oxidation product. Both pretreated and un-pretreated oxidation products were sequentially extracted… Click to show full abstract

Abstract Shengli lignite, a low-rank coal, was pretreated and oxidized with aqueous H2O2 and NaClO, respectively, to obtain an oxidation product. Both pretreated and un-pretreated oxidation products were sequentially extracted with diethyl ether and ethyl acetate to acquire extracts. A Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) coupled with an electrospray ion source was used to analyze the extracts to obtain MS big data about molecular distribution of organic matter. Two chemometrics methods, principal component analysis and hierarchical clustering analysis were applied to cluster the extracts according to the similarities and differences in molecular characteristics. The results showed that the polarity of solvent affected the compositional distribution of extracts and the most compounds in the extracts belonged to ONSCl, ONS, ONCl and ON classes. The pretreatment using H2O2 promoted the generation of species from O and ON classes and inhibited the generation of Cl-containing compounds for the following NaClO oxidation process.

Keywords: oxidation; transform ion; ion; ion cyclotron; fourier transform; oxidation products

Journal Title: Fuel
Year Published: 2021

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