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Stress–Thermal Activated Radical Pathway and Quercetin Inhibition: Research on the Generation Mechanism of Excessive CO and CH 4 in Coal Mines

Year: 2026

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide The excessive accumulation of CO in coal mines remains poorly explained. The theory of stress–thermal activated radical (STAR) pathway is proposed, demonstrating that in situ stress and temperature synergistically activate high-barrier radical reactions. Calculations show that at 380 K, the half-life of peroxyl radical decomposition is 57.51 years, but compressive stresses of 30–40 MPa can activate 100 ppm of peroxy radicals, generating ·OH and CO. Stress also breaks hydroxyl and alkyl side chains, sustaining concealed low-temperature oxidation and continuous CH 4 release, thereby explaining CO exceedances even without obvious combustion. The main mechanism by which it inhibits CSC is the capture of hydroxyl radicals. By comparing the energy barriers and reaction rates of multiple reaction sites of quercetin, it was found that the reaction rate constant for the C═C double bond to capture hydroxyl radicals was 7.877 × 10 11 M –1 S –1, indicating that the inhibitory effect of quercetin mainly stems from the C═C double bond. The reason for the reduction in the release of CO and CO 2 is that, after double bond addition, quercetin radicals effectively capture acyl and acyloxy radicals. The research revealed the promoting effect of the STAR pathway on the generation of CO/CH 4 and clarified the microscopic mechanism by which quercetin inhibits the generation of CO, providing a new perspective for the control of the CO and CH 4 gas sources and the development of inhibitors.

Source: ACS Omega

DOI: 10.1021/acsomega.5c09031