NaNO3-Promoted MgO-Based Adsorbents Prepared from Bischofite for CO2 Capture: Experimental and Density Functional Theory Study.

Abstract

MgO has broad application potential in CO2 capture at intermedium temperatures. In this paper, the effects of NaNO3 doping on the properties of MgO prepared by using waste bischofite as the raw material were investigated to improve the performance of the CO2 capture. MgO-doped NaNO3 exhibited excellent CO2 capture performance at 320 °C with a maximum adsorption capacity of 36.62 wt %. MgO-doped NaNO3 has good cycling stability after 10 adsorption-desorption cycle experiments. In addition, CO2 adsorption on pure MgO and MgO-NaNO3 surfaces was investigated in accordance with density functional theory. Calculation results show that doping with NaNO3 allows more electrons to be transferred from the MgO substrate to the CO2 molecule. MgO-doped NaNO3 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.