MOFs 材料金属位点设计及沼气纯化应用研究

摘要

Tuning metal center on Metal-Organic Frameworks ( MOFs) had an impact on properties which enhanced affinity of gas adsorption and selectivity in binary gas mixture ( e.g.surface area, cavity, electric field, etc.) .The synthesis and characterization of a X-DABCO series ( X=Ni, Co, Cu, Zn) of MOFs were described.The experiments and the Ideal Adsorbed Solution Theory (IAST )were applied to determine the CO 2/CH4 selectivity.The Ni-DABCO revealed the best performance concerning CO2 adsorption and CH4/CO2 selectivity at ambient conditions. The characterizations, calculations and adsorption experiments were combined to discuss the metal impact on the adsorption site in the M-DABCO series.%改变MOFs材料的中心金属能影响其气体的亲和性和双组份气体的吸附选择性（如比表面积，孔道结构，内部电场等），本文合成并表征了M－DABCO系列（M＝Ni， Co， Cu， Zn） MOFs材料。并应用理想吸附溶液理论（Ideal Adsorbed Solution Theory，简称IAST）量化模拟了环境条件下双组分混合气体（组分比CO2：CH4＝40％：60％）的吸附选择性。 Ni－DABCO材料具有良好的CO2吸附性能和在环境条件下对CO2／CH4混合气体的吸附选择性。本文通过实验、表征及计算等来讨论中心金属对M－DABCO系列吸附位点的影响。