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The microwave-assisted hydrogen peroxide-citric acid desulfurization of coal was optimized by response surface methodology, and the samples were characterized before and after desulfurization by proximate analysis, ultimate analysis, sulfur forms determination, X-ray diffraction (×RD), Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (×PS), and scanning electron microscopy (SEM) and so on. The quantum chemical calculations were selected to investigate desulfurization mechanism of microwave-assisted hydrogen peroxide-citric acid, and data analysis shows that the citric acid dose is the main factor affecting the desulfurization rate. Under optimized conditions, the actual desulfurization rate can reach 72.23%, the sulfur removal rate of pyrite up to 92.19%. The mineral content of the coal sample was significantly reduced. The oxygen-containing functional groups in the coal sample increased, and more inorganic sulfur and sulfoxide in the low valence state were oxidized to sulfone and sulfate in the high valence state. The microwave effect of pyrite will react with hydrogen ions to produce Fe2+, Fe2+ and citric acid reaction to form a complex. Quantum chemical calculations prove that the addition of an applied electric field can reduce the energy required for the coordination reaction and facilitate the reaction. [ABSTRACT FROM AUTHOR]

The desulfurization effect of Ningxia Shuangma coal (SM) with an acetic acid-hydrogen peroxide system assisted by microwave, ultrasonic and ultraviolet light was compared. The results show that microwave-assisted desulfurization has the best effect. When the microwave power is 900W, the irradiation time is 5 min, and the volume ratio of acetic acid to hydrogen peroxide is 1:10, the desulfurization rate can reach 55.82%. Moreover, microwave-assisted desulfurization can effectively improve the removal effect of organic sulfur. XRD, XPS, SEM and other characterization showed that microwave assisted can effectively reduce the mineral content, expose more sulfur-containing groups, and improve the desulfurization effect. The desulfurization rate of three sulfur-containing compounds is: dibenzyl sulfide > diphenyl sulfoxide > benzothiophene. With the increase of intensity of the applied electric field, the C–S bond gets easier to fracture, the applied electric field can reduce the reaction energy barrier, is a benefit to the reaction. [ABSTRACT FROM AUTHOR]