Synthesis of lithium slag-based ANA zeolite and molecular dynamics study of carbon dioxide adsorption performance

In this paper, lithium slag was used as raw material to prepare zeolite framework with porous structure by alkali activation and hydrothermal synthesis. The alkali activation of raw materials and the phase analysis of zeolite products were carried out by XRD characterization methods, and the effects of different alkali fusion conditions and hydrothermal conditions on zeolite synthesis were investigated. At the same time, the effects of different temperatures on the adsorption capacity and adsorption heat of carbon dioxide adsorbed by zeolite skeleton model under normal pressure were studied by using Materials studio software. The results showed that the optimum alkali fusion conditions were: 500 °C, 6 h; the best hydrothermal condition is 220 °C, 6 h. The average adsorption capacity of cristobalite for carbon dioxide is 2 mmol/g, and the adsorption heat is 11.98 kJ/mol.