Study on the Synergistic Antioxidant Effect of Coal Inhibitors and the DFT Calculation

Abstract

ABSTRACT In order to improve efficiency when preventing and controlling spontaneous combustion of coal, a type of compound inhibitor with tea polyphenol and vitamin E as the chemical inhibitor, grafted on a copolymer hydrogel, was prepared. The oxidation resistance of the compound inhibitor to coal was analyzed by thermogravimetric test, Fourier infrared spectroscopy, and quantum chemistry theory. The experiment results showed that: The optimum ratio of tea polyphenols and vitamin E was 1:0.05; tea polyphenols and vitamin E inhibited the oxidation of coal by capturing the decomposition products of hydroperoxides and finally forming stable ether structures, and slowing down the hydrogen supply reaction between aliphatic hydrocarbons and carboxyl groups; the antioxidant properties of vitamin E (VE) and tea polyphenols (EGCG) were mainly due to the presence of active hydroxyl groups in the ring; H22 of VE and H38 of EGCG were able to inhibit the chain reaction of coal effectively. This study provides a new technical method for development of comprehensive fire prevention technology to address spontaneous combustion of coal, and provides a reference for the research into the inhibition mechanism of spontaneous combustion of coal.