A comparison of the inhibition effect of Zn2+or Fe2+ in the oxidation of α-thiophenol groups in coal

Fengwei Dai,Guowei Qin,Ge Huang,Hanzhong Deng,Xun Zhang

Chemical Engineering Science（2022）

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摘要

•Both Zn2+and Fe2+ interact with α-thiophenol groups of coal to form complexes.•The inhibition effect of Zn2+ is stronger than that of Fe2+.•Zn2+ raised the oxidation activation energy of –SH groups about 47.62 kJ/mol.•Oxidation temperature of active functional groups increased by 17.3°C–45.9°C.

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关键词

Coal spontaneous combustion,α-Thiophenol group,Zn2+,Fe2+,Inhibition,Quantum chemistry

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