【摘 要】
：
Metal-organic frameworks (MOFs) and covalent-organic frameworks (COF) have become a very hot topic in gas adsorption and separation,due to their high specific surface areas (SSA) (500~5600 m2 g-l),low
【机 构】
：
Key Lab for Nanomaterials,Ministry of Education,Dept.of Chem.Eng.,Beijing Univ.Chem.Technol,Beijing
【出 处】
：
The 6th International Conference on Separation and Technolog
论文部分内容阅读
Metal-organic frameworks (MOFs) and covalent-organic frameworks (COF) have become a very hot topic in gas adsorption and separation,due to their high specific surface areas (SSA) (500~5600 m2 g-l),low densities (0.17~1.7 g cmn-3),and tunable pores.[1,2] In this work,we systematically review improvements of H2,[3] CH4 [4] and CO2 [5] adsorption capacities by doping MOFs and COFs with lithium by using a multiscale simulation,which combines the first-principles calculations for obtaining binding energy and grand canonical Monte Carlo simulation for evaluating adsorption amount of gases.
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