Abstract
AbstractThis study investigates the influence of CaO on the transformation of arsenic and sulfur in coal in different pyrolysis atmospheres by thermodynamic equilibrium calculation by HSC Chemistry. The effect of water vapor and reaction pressure on the release of arsenic and sulfur‐related compounds was studied. The detailed As and S distribution between 0°C and 1600°C was explored. The results show that in reducing atmosphere and partly oxidative CO2 environment, arsenic and sulfur containing compounds show very different trendy with increasing temperature. CaO addition helps arsenic compounds to form Ca(AsO2)2 and Ca3(AsO4)2, and helps sulfur containing compounds to form CaSO4 and CaSO3. The temperature has a significant effect on the distribution of Ca‐As complexes and Ca‐S complexes. Ca(AsO2)2 and Ca3(AsO4)2 are formed below 600°C in N2, while in the CO2 atmosphere only Ca(AsO2)2 is found below 600°C. CaSO4 and CaSO3 exist below 600°C in N2, while they are formed above 600°C in CO2. Water vapor enhances the formation of all the Ca‐As complexes and Ca‐S complexes greatly both in N2. Organic sulfur compounds are hardly detected anymore in the N2 atmosphere with H2O addition. In both of N2 and CO2 atmosphere, rising pressure enhances the formation of Ca‐S complexes. For Ca‐As complexes, elevated pressure is favorable for As in coal to form Ca(AsO2)2.
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