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Multiple Functions of Gas Separation and Vapor Adsorption in a New MOF with Open Tubular Channels
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2021-01-19 , DOI: 10.1021/acsami.0c21554 Yong-Zhi Li 1 , Gang-Ding Wang 1 , Li-Na Ma 1 , Lei Hou 1 , Yao-Yu Wang 1 , Zhonghua Zhu 2
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2021-01-19 , DOI: 10.1021/acsami.0c21554 Yong-Zhi Li 1 , Gang-Ding Wang 1 , Li-Na Ma 1 , Lei Hou 1 , Yao-Yu Wang 1 , Zhonghua Zhu 2
Affiliation
Separation or purification is one of the difficult problems in the petrochemical industry. To help solve the difficulty of separation or purification for C2H2/CO2 and C2Hn/CH4 in the chemical industry, we synthesized a new metal–organic framework (MOF), [Ni(dpip)]·2.5DMF·H2O (1), by a bipyridyl-substituted isophthalic acid ligand. The MOF includes two types of one-dimensional (1D) tubular channels with different sizes and porous environments. The unique tubular channels lead to not only remarkable gas sorption capacity of C2H4, C2H2, and CO2, but also good selectivity for C2H2/CH4, C2H2/CH4, CO2/CH4, and C2H2/CO2, as demonstrated by single-component sorption isotherm results, ideal adsorbed solution theory calculations, and dynamic breakthrough curves. Grand canonical Monte Carlo (GCMC) simulation reveals preferential adsorption sites in the MOF for CO2, C2H2, and C2H4. The MOF also exhibits an obvious size-selective absorption effect on vapor molecules.
中文翻译:
具有开放式管状通道的新型MOF中气体分离和蒸气吸附的多功能
分离或纯化是石化工业中的难题之一。为解决化学工业中C 2 H 2 / CO 2和C 2 H n / CH 4分离或纯化的困难,我们合成了一种新的金属-有机骨架(MOF),[Ni(dpip)]·2.5 DMF·H 2 O(1),由联吡啶基取代的间苯二甲酸配体组成。MOF包括两种类型的具有不同尺寸和多孔环境的一维(1D)管状通道。独特的管状通道不仅导致显着的C 2 H 4,C 2 H 2气体吸附能力和CO 2,而且还具有良好的选择性对C 2 H ^ 2 / CH 4,C 2 H ^ 2 / CH 4,CO 2 / CH 4和C 2 H ^ 2 / CO 2,这表现在单组分的吸附等温线的结果,理想的吸附溶液理论计算和动态穿透曲线。大经典蒙特卡洛(GCMC)模拟显示MOF中CO 2,C 2 H 2和C 2 H 4的优先吸附位。MOF还对蒸气分子表现出明显的尺寸选择性吸收作用。
更新日期:2021-01-27
中文翻译:
具有开放式管状通道的新型MOF中气体分离和蒸气吸附的多功能
分离或纯化是石化工业中的难题之一。为解决化学工业中C 2 H 2 / CO 2和C 2 H n / CH 4分离或纯化的困难,我们合成了一种新的金属-有机骨架(MOF),[Ni(dpip)]·2.5 DMF·H 2 O(1),由联吡啶基取代的间苯二甲酸配体组成。MOF包括两种类型的具有不同尺寸和多孔环境的一维(1D)管状通道。独特的管状通道不仅导致显着的C 2 H 4,C 2 H 2气体吸附能力和CO 2,而且还具有良好的选择性对C 2 H ^ 2 / CH 4,C 2 H ^ 2 / CH 4,CO 2 / CH 4和C 2 H ^ 2 / CO 2,这表现在单组分的吸附等温线的结果,理想的吸附溶液理论计算和动态穿透曲线。大经典蒙特卡洛(GCMC)模拟显示MOF中CO 2,C 2 H 2和C 2 H 4的优先吸附位。MOF还对蒸气分子表现出明显的尺寸选择性吸收作用。