Mechanochemical Capture of Carbon Disulfide by Magnesium-carbon Composite

摘要

This work is concerned with mechanochemical capture of carbon disulfide (CS_2) by magnesium-carbon composite from ball-miling of Mg and carbonized anthracite. XRD analysis shows that cubic crystal MgS forms when milling time increases more than 1.0 h. The sulfur contents in composites from 0.5, 1.0, 1.5 and 2.0 h of milling are 1.35, 6.02, 9.62 and 11.69 wt%, respectively. With the extension of milling time, the particle size of Mg decreases, while crystallite size of MgS shows an increase trend. The crystallite size of MgS in the composites from 1.0, 1.5 and 2 h of milling are 95, 132 and 275 A, respectively. FT-IR analysis shows that there are four absorption peaks at 1210, 1005, 906 and 764 cm~(-1), corresponding to the C-S bond absorption, are obvious, suggesting that the crystallitic carbon can deliver sulfur atoms during capture reaction. The mechanism of CS_2 capture by composite is simulated by first-principles calculation, and the density of states and deformation charge density maps of CS_2 adsorption on Mg(0001) suggest that the adsorption is chemisorption. This work can pave a new pathway for the absorption of CS_2.