NaNO-Promoted MgO-Based Adsorbents Prepared from Bischofite for CO Capture: Experimental and Density Functional Theory Study.

MgO has broad application potential in CO capture at intermedium temperatures. In this paper, the effects of NaNO doping on the properties of MgO prepared by using waste bischofite as the raw material were investigated to improve the performance of the CO capture. MgO-doped NaNO exhibited excellent CO capture performance at 320 °C with a maximum adsorption capacity of 36.62 wt %. MgO-doped NaNO has good cycling stability after 10 adsorption-desorption cycle experiments. In addition, CO adsorption on pure MgO and MgO-NaNO surfaces was investigated in accordance with density functional theory. Calculation results show that doping with NaNO allows more electrons to be transferred from the MgO substrate to the CO molecule. MgO-doped NaNO can lead to an increase in adsorption energy, resulting in a more stable structure after adsorption and thereby promoting adsorption. The result of this study provides an effective method for the comprehensive utilization of salt lake resources.