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Application of Chemometrics for Coal Pyrolysis Products by Online py-GC×GC-MS.

ABSTRACT: Investigations on the molecular composition of coal pyrolysis products can help us to improve nonfuel utilization of coal. Meanwhile, the molecular composition of coal pyrolysis products is also influenced by the characteristics and depositional environment of coal. However, due to the extremely complex nature of coal, direct investigation of the molecular composition of coal pyrolysis products is still a challenge. In the present work, the data of the molecular composition of bituminous coal pyrolysis products are obtained by online pyrolysis coupled to comprehensive two-dimensional gas chromatography and mass spectrometry (online py-GC×GC-MS) and are divided into nine molecular groups depending on the aromaticity of the pyrolysis products and separating power of the GC×GC-MS. Chemometric tools, hierarchical cluster analysis, and principal component analysis are employed to reveal the correlations among the molecular composition of coal pyrolysis products and coal characteristics. The results show that the nine molecular groups of bituminous coal pyrolysis products can be divided into two clusters, the "aromatic group" and the "aliphatic group", and that the eight coals are divided into three clusters, all of which can be interpreted by the depositional environments and ?¹³C_VPDB values of coals. Moreover, a simple and empirical equation for estimation of coal tar from hydropyrolysis can be obtained depending on the chemometric results of the molecular composition of the coal pyrolysis products. By application of chemometrics, the molecular composition of coal pyrolysis products can provide preference to industrial utilization of coal.

SUBMITTER: Yin H

PROVIDER: S-EPMC7876837 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature

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Application of Chemometrics for Coal Pyrolysis Products by Online py-GC×GC-MS.

Yin Hao H Lu Jie J Liu Guijian G Niu Zhiyuan Z Zha Xiangping X Wu Dun D Feng Airong A Hu Yanyun Y

ACS omega 20210129 5

Investigations on the molecular composition of coal pyrolysis products can help us to improve nonfuel utilization of coal. Meanwhile, the molecular composition of coal pyrolysis products is also influenced by the characteristics and depositional environment of coal. However, due to the extremely complex nature of coal, direct investigation of the molecular composition of coal pyrolysis products is still a challenge. In the present work, the data of the molecular composition of bituminous coal py ...[more]

PMID: 33585755

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Project description:In the times of Covid-19, face masks are considered to be the main source of protection against the virus that reduces its spread. These masks are classified as single-use medical products with a very short service life, estimated at few days, hence millions of contaminated masks are generated daily in the form of hazardous materials, what requires to develop a safe method to dispose of them, especially since some of them are loaded with viruses. 3-ply face masks (3PFM) represent the major fraction of this waste and are composed mainly from polypropylene and melt blown filter with high content of volatile substances (96.6 wt.%), what makes pyrolysis treatment an emerging technology that could be used to dispose of face masks and convert them into energy products. In this context, this work aims to study pyrolysis kinetic behaviour and TG-FTIR-GC-MS analysis of 3PFM. The research started with analysis of 3PFM using elemental analysis, proximate analysis, and compositional analyses. Afterwards, TG-FTIR system was used to study the thermal and chemical decomposition of 3PFM analyzed at different heating rates: 5, 10, 15, 20, 25, and 30 °C/min. The GC/MS system was used to observe the synthesized volatile products at the maximum decomposition temperatures. After that, isoconversional methods, the advanced nonlinear integral isoconversional method, and the iterative linear integral isoconversional method were used to determine the activation energies of mask pyrolysis, while the distributed activation energy model and the independent parallel reactions kinetic model were used to fit TGA and DTG curves with deviations below <1. The TGA-DTG results showed that 3PFM can decompose in three different periods with a total weight loss of 95 % and maximum decomposition in the range 405-510 °C, while the FTIR spectra and GC-MS analysis exhibited that - C-H (aromatic and aliphatic) and 2,4-Dimethyl-1-heptene (28-43 % based on heating rate) represented the major compounds in the released volatile components. Finally, Vyazovkin and the iterative linear integral isoconversional methods gave activation energies almost similar to that obtained by the KAS isoconversional method.

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Application of Chemometrics for Coal Pyrolysis Products by Online py-GC×GC-MS.

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Application of Chemometrics for Coal Pyrolysis Products by Online py-GC×GC-MS.

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