Journal of CO2 Utilization ( IF 7.2 ) Pub Date : 2020-08-27 , DOI: 10.1016/j.jcou.2020.101293 Sung Gu Kang
Discovering high-performance materials for CO2 capture is essential for mitigating severe climate change, such as global warming. In this study, the CO2 capture performance of Mg2MO4 (M = Si, V, and Ge) was assessed using a first-principles theoretical approach. Among the three compounds investigated, Mg2VO4 showed the highest critical temperature that CO2 could be absorbed. The critical temperature of each compound increased with decreasing Pauling electronegativity of the M site of Mg2MO4. The temperature requirement for CO2 capture of Mg2SiO4 at P = 0.1 bar was T < 312 K and that of Mg2VO4 at P = 10 bar was T < 609 K. This suggests that Mg2SiO4 and Mg2VO4 are effective in capturing CO2 at post-combustion and pre-combustion processes, respectively.
中文翻译:
第一性原理评估使用Mg 2 SiO 4,Mg 2 VO 4和Mg 2 GeO 4捕获CO 2的潜力
发现用于捕获CO 2的高性能材料对于缓解严峻的气候变化(例如全球变暖)至关重要。在这项研究中,使用第一原理理论方法评估了Mg 2 MO 4(M = Si,V和Ge)的CO 2捕集性能。在所研究的三种化合物中,Mg 2 VO 4显示出可以吸收CO 2的最高临界温度。每种化合物的临界温度随着Mg 2 MO 4的M位的鲍林电负性的降低而增加。Mg 2 SiO的CO 2捕集温度要求P = 0.1 bar时的4为T <312 K,而P = 10 bar时的Mg 2 VO 4则为T <609K。这表明Mg 2 SiO 4和Mg 2 VO 4可在捕集后有效捕集CO 2。燃烧和预燃烧过程。