Study on the mechanism of lignite oxidation inhibition by antioxidant resveratrol. (15th June 2023)

• Record Type: Journal Article
• Authors: Bai, Zujin; Deng, Jun; Wang, Caiping; Hou, Yanan; Zhang, Yanni; Kang, Furu; Ramakrishna, Seeram
• Is Part Of: Energy. Volume 273(2023)
• Publication Date: 2023-06-15
• Subjects: Microstructure -- Thermodynamic characteristics -- Density functional theory -- Coal spontaneous combustion -- Active site; Power resources -- Periodicals; Power (Mechanics) -- Periodicals; Energy consumption -- Periodicals; 333.7905
• DOI: 10.1016/j.energy.2023.127235
• Languages: English
• ISSNs: 0360-5442

Abstract

Abstract: A comparative study on the mechanism of inhibiting spontaneous combustion of lignite by the antioxidant resveratrol (RES) with different ratios has been performed. The microstructure, thermodynamic characteristics, and inhibiting reaction process was explored. RES has the best inhibition effect at wt 1%, the order of reduction of functional groups is aliphatic hydrocarbon > aromatic hydrocarbon > hydroxyl group > oxygen-containing functional group. Combined with the change characteristics of microstructure and thermal release, RES can effectively inhibit the oxidation of lignite. The results of quantum chemical calculation clearly indicate that the best active site for the reaction of the three positions of hydroxyl (①, ② and ③) in RES with the coal molecular structure is the ③. The order of the reaction for RES with the four types of radicals is –CH2- O -O·>-CH2-O·>·OH > -CH2·. Combined with the above analysis, the inhibition mechanism is inferred that this reaction reduces the collision frequency of free radicals, interrupts or slows down the intermediate process of coal free radical reaction, so that the thermal release is affected, and finally achieves the inhibiting CSC. This work solves the problem of high inhibition cost, complex sequence of active reactions, and unclear reaction mechanism. Highlights: Optimum concentration of RES to inhibit CSC was determined at wt 1%. Best active site for reaction in RES contained three hydroxyl groups was obtained. Order of reaction between the active sites and free radicals has been mastered. Microscopic mechanism of RES inhibition of CSC was revealed.