Study on Efficient Carbon Dioxide Sequestration by Microscopic Dispersion of Alkaline Earth Oxides

为了减少全球变暖带来的二氧化碳排放，提出了一种基于碱土氧化物材料的新型固体吸收剂。还从理论和实验两方面研究了在CaO中添加其他碱土金属氧化物对CO_2吸附能的影响。在此基础上，研究了BaO-TiO_2和Li_2O-TiO_2还原CO_2的适宜工艺和原料。此外，对CO_2在CaO和BaO(001)面上的吸附能进行了大尺度从头算计算。

In order to reduce the CO_2 emissions from global warming issue, the novel solid absorbent based on alkaline earth oxides material was proposed. The effects of addition of other alkaline earth metal oxides to CaO on the CO_2 adsorption energy were also investigated both theoretically and experimentally. On the basis of these results, the favorable process and materials for CO_2 reduction using BaO-TiO_2 or Li_2O-TiO_2 were studied. Moreover, the large scale ab-initio calculations were performed for an accurate estimation of adsorption energy of CO_2 on the CaO and BaO (001)surfaces.