Molecular Active Groups Reaction of Oxidized Coal under Oxygen-Deficient Environment and Its Pore Structure Development after Water Soaking

- groups. The -CO group primarily participates during the intermediate and late stages of coal oxygenation reactions, exhibiting a lower reaction priority. During the low-oxygen phase, the conversion of peroxide radicals to -C-O- is limited, leading to a reduction in the quantity of -C-O- produced. When the oxygen concentration exceeds 9%, it leads to the rapid generation of peroxide radicals. These radicals efficiently extract hydrogen atoms from the fatty chains of coal molecules and other structural components via hydrogen abstraction reactions, generating unstable hydrogen peroxides that are easily decomposed to produce alcohols and ketones containing -C-O-. Oxidation significantly enhances the development of pores compared to raw coal, and the cumulative pore volume and area tend to increase with the degree of oxidation. Although the water soaking resulted in a decrease in the cumulative pore volume compared to oxidized coal, it remained significantly higher than that of raw coal. The distribution of micropores indicates that as oxygen concentration rises, the proportion of micropores in oxidized coal increases progressively. The oxidation process facilitates the transition of coal pores from mesopores (>100 nm) and small pores (10 to 100 nm) to micropores (<10 nm). As the primary site for coal-oxygen adsorption, an increase in the proportion of micropores effectively expands the coal-oxygen reaction interface.

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Publication Details

Journal
ACS Omega
Published
2026-04-21
DOI
https://doi.org/10.1021/acsomega.5c10060
Primary Topic
Coal Properties and Utilization
Type
article
Field-Weighted Citation Impact
0.00

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article

Molecular Active Groups Reaction of Oxidized Coal under Oxygen-Deficient Environment and Its Pore Structure Development after Water Soaking

Yiju Tang, Quan Lou, Fei Teng
ACS Omega
Coal Properties and Utilization
article

Molecular Active Groups Reaction of Oxidized Coal under Oxygen-Deficient Environment and Its Pore Structure Development after Water Soaking

Yiju Tang, Quan Lou, Fei Teng
article en

Abstract

- groups. The -CO group primarily participates during the intermediate and late stages of coal oxygenation reactions, exhibiting a lower reaction priority. During the low-oxygen phase, the conversion of peroxide radicals to -C-O- is limited, leading to a reduction in the quantity of -C-O- produced. When the oxygen concentration exceeds 9%, it leads to the rapid generation of peroxide radicals. These radicals efficiently extract hydrogen atoms from the fatty chains of coal molecules and other structural components via hydrogen abstraction reactions, generating unstable hydrogen peroxides that are easily decomposed to produce alcohols and ketones containing -C-O-. Oxidation significantly enhances the development of pores compared to raw coal, and the cumulative pore volume and area tend to increase with the degree of oxidation. Although the water soaking resulted in a decrease in the cumulative pore volume compared to oxidized coal, it remained significantly higher than that of raw coal. The distribution of micropores indicates that as oxygen concentration rises, the proportion of micropores in oxidized coal increases progressively. The oxidation process facilitates the transition of coal pores from mesopores (>100 nm) and small pores (10 to 100 nm) to micropores (<10 nm). As the primary site for coal-oxygen adsorption, an increase in the proportion of micropores effectively expands the coal-oxygen reaction interface.

ACS OmegaVol. 11(17)
Hefei Design and Research Institute of Coal Industry (China) (CN), Henan University of Urban Construction (CN)
Natural Science Foundation of Henan Province
Openalex Percentile: Top 22%
Coal Properties and Utilization
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